(5R)-5-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one

C18H25ClN4O — CID 157159263

IUPAC(5R)-5-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one
SMILESCCCCC[C@](C)(CCC(C)=O)Nc1nc(Cl)nc2cccnc12
InChIInChI=1S/C18H25ClN4O/c1-4-5-6-10-18(3,11-9-13(2)24)23-16-15-14(8-7-12-20-15)21-17(19)22-16/h7-8,12H,4-6,9-11H2,1-3H3,(H,21,22,23)/t18-/m1/s1
InChIKeyUNMMYFPVLGWXCK-GOSISDBHSA-N
MW348.88 g/mol
LogP4.80
Rot. Bonds9

About (5R)-5-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one

(5R)-5-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one (PubChem CID 157159263) has the molecular formula C18H25ClN4O and a molecular weight of 348.88 g/mol. Its IUPAC name is (5R)-5-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one.

Molecular Properties

Compound Name(5R)-5-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one
PubChem CID157159263
Molecular FormulaC18H25ClN4O
Molecular Weight348.88 g/mol
Exact Mass348.17
IUPAC Name(5R)-5-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one
SMILESCCCCC[C@](C)(CCC(C)=O)Nc1nc(Cl)nc2cccnc12
InChIInChI=1S/C18H25ClN4O/c1-4-5-6-10-18(3,11-9-13(2)24)23-16-15-14(8-7-12-20-15)21-17(19)22-16/h7-8,12H,4-6,9-11H2,1-3H3,(H,21,22,23)/t18-/m1/s1
InChIKeyUNMMYFPVLGWXCK-GOSISDBHSA-N
XLogP4.80
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one?
The IUPAC name of (5R)-5-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one (CID 157159263) is (5R)-5-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one.
What is the SMILES notation for (5R)-5-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one?
The canonical SMILES for (5R)-5-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one is CCCCC[C@](C)(CCC(C)=O)Nc1nc(Cl)nc2cccnc12.
What is the InChIKey of (5R)-5-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one?
The InChIKey is UNMMYFPVLGWXCK-GOSISDBHSA-N. The full InChI is InChI=1S/C18H25ClN4O/c1-4-5-6-10-18(3,11-9-13(2)24)23-16-15-14(8-7-12-20-15)21-17(19)22-16/h7-8,12H,4-6,9-11H2,1-3H3,(H,21,22,23)/t18-/m1/s1.
What are the key properties of (5R)-5-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one?
(5R)-5-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one has a molecular weight of 348.88 g/mol, XLogP of 4.80, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one is sourced from PubChem (CID 157159263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).