5-[[(2R)-1-hydroxypropan-2-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one

C19H23N5O3 — CID 66959223

IUPAC5-[[(2R)-1-hydroxypropan-2-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESC[C@H](CO)Nc1nc(-c2ccc(C(C)(C)O)nc2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C19H23N5O3/c1-11(9-25)22-17-16-14(21-10-24(4)18(16)26)7-13(23-17)12-5-6-15(20-8-12)19(2,3)27/h5-8,10-11,25,27H,9H2,1-4H3,(H,22,23)/t11-/m1/s1
InChIKeyOONMIERZYHITFW-LLVKDONJSA-N
MW369.43 g/mol
LogP1.41
Rot. Bonds5

About 5-[[(2R)-1-hydroxypropan-2-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one

5-[[(2R)-1-hydroxypropan-2-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959223) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 5-[[(2R)-1-hydroxypropan-2-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[[(2R)-1-hydroxypropan-2-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
PubChem CID66959223
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name5-[[(2R)-1-hydroxypropan-2-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESC[C@H](CO)Nc1nc(-c2ccc(C(C)(C)O)nc2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C19H23N5O3/c1-11(9-25)22-17-16-14(21-10-24(4)18(16)26)7-13(23-17)12-5-6-15(20-8-12)19(2,3)27/h5-8,10-11,25,27H,9H2,1-4H3,(H,22,23)/t11-/m1/s1
InChIKeyOONMIERZYHITFW-LLVKDONJSA-N
XLogP1.41
TPSA113.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-1-hydroxypropan-2-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-[[(2R)-1-hydroxypropan-2-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one (CID 66959223) is 5-[[(2R)-1-hydroxypropan-2-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-[[(2R)-1-hydroxypropan-2-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-[[(2R)-1-hydroxypropan-2-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one is C[C@H](CO)Nc1nc(-c2ccc(C(C)(C)O)nc2)cc2ncn(C)c(=O)c12.
What is the InChIKey of 5-[[(2R)-1-hydroxypropan-2-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The InChIKey is OONMIERZYHITFW-LLVKDONJSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-11(9-25)22-17-16-14(21-10-24(4)18(16)26)7-13(23-17)12-5-6-15(20-8-12)19(2,3)27/h5-8,10-11,25,27H,9H2,1-4H3,(H,22,23)/t11-/m1/s1.
What are the key properties of 5-[[(2R)-1-hydroxypropan-2-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
5-[[(2R)-1-hydroxypropan-2-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one has a molecular weight of 369.43 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-1-hydroxypropan-2-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).