6-amino-5-[(3-chloro-4-methylquinolin-2-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione

C23H30ClN5O2 — CID 56550716

IUPAC6-amino-5-[(3-chloro-4-methylquinolin-2-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCc1c(Cl)c(CN(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)nc2ccccc12
InChIInChI=1S/C23H30ClN5O2/c1-13(2)10-28(20-21(25)29(11-14(3)4)23(31)27-22(20)30)12-18-19(24)15(5)16-8-6-7-9-17(16)26-18/h6-9,13-14H,10-12,25H2,1-5H3,(H,27,30,31)
InChIKeyPJXVNKXLAFPRDC-UHFFFAOYSA-N
MW443.98 g/mol
LogP3.95
Rot. Bonds7

About 6-amino-5-[(3-chloro-4-methylquinolin-2-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione

6-amino-5-[(3-chloro-4-methylquinolin-2-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione (PubChem CID 56550716) has the molecular formula C23H30ClN5O2 and a molecular weight of 443.98 g/mol. Its IUPAC name is 6-amino-5-[(3-chloro-4-methylquinolin-2-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[(3-chloro-4-methylquinolin-2-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
PubChem CID56550716
Molecular FormulaC23H30ClN5O2
Molecular Weight443.98 g/mol
Exact Mass443.21
IUPAC Name6-amino-5-[(3-chloro-4-methylquinolin-2-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCc1c(Cl)c(CN(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)nc2ccccc12
InChIInChI=1S/C23H30ClN5O2/c1-13(2)10-28(20-21(25)29(11-14(3)4)23(31)27-22(20)30)12-18-19(24)15(5)16-8-6-7-9-17(16)26-18/h6-9,13-14H,10-12,25H2,1-5H3,(H,27,30,31)
InChIKeyPJXVNKXLAFPRDC-UHFFFAOYSA-N
XLogP3.95
TPSA97.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.98
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-amino-5-[(3-chloro-4-methylquinolin-2-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione with MolForge

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Related Compounds

6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(2-phenoxyethyl)amino]pyrimidine-2,4-dione
CID 34200106
6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(pyridin-3-ylmethyl)amino]pyrimidine-2,4-dione
CID 78860414
6-amino-5-[(3-fluorophenyl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 55591309
6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrimidine-2,4-dione
CID 34200466
6-amino-1-butyl-5-[3-methylbutyl-[(3-methylquinoxalin-2-yl)methyl]amino]pyrimidine-2,4-dione
CID 112808531
2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(3-phenylpropyl)acetamide
CID 46594520
1-[N-[(3-chloro-4-methylquinolin-2-yl)methyl]anilino]propan-2-ol
CID 56549432
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-methyl-N-(2-methylpropyl)-6-phenylpyridine-3-carboxamide
CID 31849707
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-3-phenylpropanamide
CID 2558690
2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(4-methylphenyl)acetamide
CID 46594509
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2-methylpropyl)acetamide
CID 31842412
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(1,3-benzoxazol-2-yl)-N-(2-methylpropyl)piperidine-4-carboxamide
CID 30137063

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(3-chloro-4-methylquinolin-2-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[(3-chloro-4-methylquinolin-2-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione (CID 56550716) is 6-amino-5-[(3-chloro-4-methylquinolin-2-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[(3-chloro-4-methylquinolin-2-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[(3-chloro-4-methylquinolin-2-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione is Cc1c(Cl)c(CN(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)nc2ccccc12.
What is the InChIKey of 6-amino-5-[(3-chloro-4-methylquinolin-2-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The InChIKey is PJXVNKXLAFPRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN5O2/c1-13(2)10-28(20-21(25)29(11-14(3)4)23(31)27-22(20)30)12-18-19(24)15(5)16-8-6-7-9-17(16)26-18/h6-9,13-14H,10-12,25H2,1-5H3,(H,27,30,31).
What are the key properties of 6-amino-5-[(3-chloro-4-methylquinolin-2-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
6-amino-5-[(3-chloro-4-methylquinolin-2-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione has a molecular weight of 443.98 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(3-chloro-4-methylquinolin-2-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 56550716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).