N-[(2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)methyl]-2,2-dimethylpropanamide

C17H22ClN5O2 — CID 58405010

IUPACN-[(2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCc1ccc2nc(Cl)nc(N3CCOCC3)c2n1
InChIInChI=1S/C17H22ClN5O2/c1-17(2,3)15(24)19-10-11-4-5-12-13(20-11)14(22-16(18)21-12)23-6-8-25-9-7-23/h4-5H,6-10H2,1-3H3,(H,19,24)
InChIKeyDWSPTUMRORHGOY-UHFFFAOYSA-N
MW363.85 g/mol
LogP2.18
Rot. Bonds3

About N-[(2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)methyl]-2,2-dimethylpropanamide

N-[(2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)methyl]-2,2-dimethylpropanamide (PubChem CID 58405010) has the molecular formula C17H22ClN5O2 and a molecular weight of 363.85 g/mol. Its IUPAC name is N-[(2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)methyl]-2,2-dimethylpropanamide
PubChem CID58405010
Molecular FormulaC17H22ClN5O2
Molecular Weight363.85 g/mol
Exact Mass363.15
IUPAC NameN-[(2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCc1ccc2nc(Cl)nc(N3CCOCC3)c2n1
InChIInChI=1S/C17H22ClN5O2/c1-17(2,3)15(24)19-10-11-4-5-12-13(20-11)14(22-16(18)21-12)23-6-8-25-9-7-23/h4-5H,6-10H2,1-3H3,(H,19,24)
InChIKeyDWSPTUMRORHGOY-UHFFFAOYSA-N
XLogP2.18
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)methyl]-2,2-dimethylpropanamide (CID 58405010) is N-[(2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)methyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCc1ccc2nc(Cl)nc(N3CCOCC3)c2n1.
What is the InChIKey of N-[(2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)methyl]-2,2-dimethylpropanamide?
The InChIKey is DWSPTUMRORHGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O2/c1-17(2,3)15(24)19-10-11-4-5-12-13(20-11)14(22-16(18)21-12)23-6-8-25-9-7-23/h4-5H,6-10H2,1-3H3,(H,19,24).
What are the key properties of N-[(2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)methyl]-2,2-dimethylpropanamide?
N-[(2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)methyl]-2,2-dimethylpropanamide has a molecular weight of 363.85 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 58405010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).