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

C20H25N5O3 — CID 66959268

IUPAC5-[[(2R)-1-hydroxybutan-2-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCC[C@H](CO)Nc1nc(-c2ccc(C(C)(C)O)nc2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C20H25N5O3/c1-5-13(10-26)23-18-17-15(22-11-25(4)19(17)27)8-14(24-18)12-6-7-16(21-9-12)20(2,3)28/h6-9,11,13,26,28H,5,10H2,1-4H3,(H,23,24)/t13-/m1/s1
InChIKeyXTCDAJDRGMCMSJ-CYBMUJFWSA-N
MW383.45 g/mol
LogP1.80
Rot. Bonds6

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

5-[[(2R)-1-hydroxybutan-2-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959268) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 5-[[(2R)-1-hydroxybutan-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-hydroxybutan-2-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
PubChem CID66959268
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name5-[[(2R)-1-hydroxybutan-2-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCC[C@H](CO)Nc1nc(-c2ccc(C(C)(C)O)nc2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C20H25N5O3/c1-5-13(10-26)23-18-17-15(22-11-25(4)19(17)27)8-14(24-18)12-6-7-16(21-9-12)20(2,3)28/h6-9,11,13,26,28H,5,10H2,1-4H3,(H,23,24)/t13-/m1/s1
InChIKeyXTCDAJDRGMCMSJ-CYBMUJFWSA-N
XLogP1.80
TPSA113.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-1-hydroxybutan-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-hydroxybutan-2-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one (CID 66959268) is 5-[[(2R)-1-hydroxybutan-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-hydroxybutan-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-hydroxybutan-2-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one is CC[C@H](CO)Nc1nc(-c2ccc(C(C)(C)O)nc2)cc2ncn(C)c(=O)c12.
What is the InChIKey of 5-[[(2R)-1-hydroxybutan-2-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The InChIKey is XTCDAJDRGMCMSJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-5-13(10-26)23-18-17-15(22-11-25(4)19(17)27)8-14(24-18)12-6-7-16(21-9-12)20(2,3)28/h6-9,11,13,26,28H,5,10H2,1-4H3,(H,23,24)/t13-/m1/s1.
What are the key properties of 5-[[(2R)-1-hydroxybutan-2-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
5-[[(2R)-1-hydroxybutan-2-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one has a molecular weight of 383.45 g/mol, XLogP of 1.80, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-1-hydroxybutan-2-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).