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

C16H20ClN5O2 — CID 58404955

IUPACN-[(2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1ccc2nc(Cl)nc(N3CCOCC3)c2n1
InChIInChI=1S/C16H20ClN5O2/c1-10(2)15(23)18-9-11-3-4-12-13(19-11)14(21-16(17)20-12)22-5-7-24-8-6-22/h3-4,10H,5-9H2,1-2H3,(H,18,23)
InChIKeyHKRMZHOVVKTVTI-UHFFFAOYSA-N
MW349.82 g/mol
LogP1.79
Rot. Bonds4

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

N-[(2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)methyl]-2-methylpropanamide (PubChem CID 58404955) has the molecular formula C16H20ClN5O2 and a molecular weight of 349.82 g/mol. Its IUPAC name is N-[(2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)methyl]-2-methylpropanamide
PubChem CID58404955
Molecular FormulaC16H20ClN5O2
Molecular Weight349.82 g/mol
Exact Mass349.13
IUPAC NameN-[(2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1ccc2nc(Cl)nc(N3CCOCC3)c2n1
InChIInChI=1S/C16H20ClN5O2/c1-10(2)15(23)18-9-11-3-4-12-13(19-11)14(21-16(17)20-12)22-5-7-24-8-6-22/h3-4,10H,5-9H2,1-2H3,(H,18,23)
InChIKeyHKRMZHOVVKTVTI-UHFFFAOYSA-N
XLogP1.79
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 51.79
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-methylpropanamide?
The IUPAC name of N-[(2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)methyl]-2-methylpropanamide (CID 58404955) is N-[(2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[(2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[(2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)methyl]-2-methylpropanamide is CC(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-methylpropanamide?
The InChIKey is HKRMZHOVVKTVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O2/c1-10(2)15(23)18-9-11-3-4-12-13(19-11)14(21-16(17)20-12)22-5-7-24-8-6-22/h3-4,10H,5-9H2,1-2H3,(H,18,23).
What are the key properties of N-[(2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)methyl]-2-methylpropanamide?
N-[(2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)methyl]-2-methylpropanamide has a molecular weight of 349.82 g/mol, XLogP of 1.79, 4 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-methylpropanamide is sourced from PubChem (CID 58404955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).