N-methyl-2-propan-2-yl-6-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine

C15H23N5 — CID 80952651

IUPACN-methyl-2-propan-2-yl-6-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine
SMILESCCCn1ccnc1Cc1cc(NC)nc(C(C)C)n1
InChIInChI=1S/C15H23N5/c1-5-7-20-8-6-17-14(20)10-12-9-13(16-4)19-15(18-12)11(2)3/h6,8-9,11H,5,7,10H2,1-4H3,(H,16,18,19)
InChIKeyUBRQUFOOXUZYDW-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.84
Rot. Bonds6

About N-methyl-2-propan-2-yl-6-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine

N-methyl-2-propan-2-yl-6-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine (PubChem CID 80952651) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-methyl-2-propan-2-yl-6-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-propan-2-yl-6-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine
PubChem CID80952651
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC NameN-methyl-2-propan-2-yl-6-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine
SMILESCCCn1ccnc1Cc1cc(NC)nc(C(C)C)n1
InChIInChI=1S/C15H23N5/c1-5-7-20-8-6-17-14(20)10-12-9-13(16-4)19-15(18-12)11(2)3/h6,8-9,11H,5,7,10H2,1-4H3,(H,16,18,19)
InChIKeyUBRQUFOOXUZYDW-UHFFFAOYSA-N
XLogP2.84
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-6-[(1-propylimidazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769668
6-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80952506
N-ethyl-2-methyl-6-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 79738067
6-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethylpyrimidin-4-amine
CID 79737865
4-chloro-2-propyl-6-[(1-propylimidazol-2-yl)methyl]pyrimidine
CID 80945789
2-methyl-3-(1-propylimidazol-2-yl)propanal
CID 64663884
N,2,3-trimethyl-4-(1-propylimidazol-2-yl)butan-1-amine
CID 81016215
N,4-dimethyl-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 79752057
(1R)-1-(4-chlorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 81353111
N-[(1-propylimidazol-2-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine
CID 62956864
1-(4-methylpentyl)-2-propylimidazole
CID 83169083
2-(3-bromobutyl)-1-propylimidazole
CID 64508695

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-propan-2-yl-6-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of N-methyl-2-propan-2-yl-6-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine (CID 80952651) is N-methyl-2-propan-2-yl-6-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-propan-2-yl-6-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-propan-2-yl-6-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine is CCCn1ccnc1Cc1cc(NC)nc(C(C)C)n1.
What is the InChIKey of N-methyl-2-propan-2-yl-6-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is UBRQUFOOXUZYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-5-7-20-8-6-17-14(20)10-12-9-13(16-4)19-15(18-12)11(2)3/h6,8-9,11H,5,7,10H2,1-4H3,(H,16,18,19).
What are the key properties of N-methyl-2-propan-2-yl-6-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine?
N-methyl-2-propan-2-yl-6-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 273.38 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-propan-2-yl-6-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80952651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).