2-amino-6-chloro-4-[[(2R)-pentan-2-yl]amino]pyrido[4,3-d]pyrimidin-5-one

C12H16ClN5O — CID 170186588

IUPAC2-amino-6-chloro-4-[[(2R)-pentan-2-yl]amino]pyrido[4,3-d]pyrimidin-5-one
SMILESCCC[C@@H](C)Nc1nc(N)nc2ccn(Cl)c(=O)c12
InChIInChI=1S/C12H16ClN5O/c1-3-4-7(2)15-10-9-8(16-12(14)17-10)5-6-18(13)11(9)19/h5-7H,3-4H2,1-2H3,(H3,14,15,16,17)/t7-/m1/s1
InChIKeyRMONVBMARSWIRB-SSDOTTSWSA-N
MW281.75 g/mol
LogP1.98
Rot. Bonds4

About 2-amino-6-chloro-4-[[(2R)-pentan-2-yl]amino]pyrido[4,3-d]pyrimidin-5-one

2-amino-6-chloro-4-[[(2R)-pentan-2-yl]amino]pyrido[4,3-d]pyrimidin-5-one (PubChem CID 170186588) has the molecular formula C12H16ClN5O and a molecular weight of 281.75 g/mol. Its IUPAC name is 2-amino-6-chloro-4-[[(2R)-pentan-2-yl]amino]pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-6-chloro-4-[[(2R)-pentan-2-yl]amino]pyrido[4,3-d]pyrimidin-5-one
PubChem CID170186588
Molecular FormulaC12H16ClN5O
Molecular Weight281.75 g/mol
Exact Mass281.10
IUPAC Name2-amino-6-chloro-4-[[(2R)-pentan-2-yl]amino]pyrido[4,3-d]pyrimidin-5-one
SMILESCCC[C@@H](C)Nc1nc(N)nc2ccn(Cl)c(=O)c12
InChIInChI=1S/C12H16ClN5O/c1-3-4-7(2)15-10-9-8(16-12(14)17-10)5-6-18(13)11(9)19/h5-7H,3-4H2,1-2H3,(H3,14,15,16,17)/t7-/m1/s1
InChIKeyRMONVBMARSWIRB-SSDOTTSWSA-N
XLogP1.98
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-4-[[(2R)-pentan-2-yl]amino]pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 2-amino-6-chloro-4-[[(2R)-pentan-2-yl]amino]pyrido[4,3-d]pyrimidin-5-one (CID 170186588) is 2-amino-6-chloro-4-[[(2R)-pentan-2-yl]amino]pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-6-chloro-4-[[(2R)-pentan-2-yl]amino]pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-6-chloro-4-[[(2R)-pentan-2-yl]amino]pyrido[4,3-d]pyrimidin-5-one is CCC[C@@H](C)Nc1nc(N)nc2ccn(Cl)c(=O)c12.
What is the InChIKey of 2-amino-6-chloro-4-[[(2R)-pentan-2-yl]amino]pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is RMONVBMARSWIRB-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H16ClN5O/c1-3-4-7(2)15-10-9-8(16-12(14)17-10)5-6-18(13)11(9)19/h5-7H,3-4H2,1-2H3,(H3,14,15,16,17)/t7-/m1/s1.
What are the key properties of 2-amino-6-chloro-4-[[(2R)-pentan-2-yl]amino]pyrido[4,3-d]pyrimidin-5-one?
2-amino-6-chloro-4-[[(2R)-pentan-2-yl]amino]pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 281.75 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-4-[[(2R)-pentan-2-yl]amino]pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 170186588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).