[2-methoxy-5-[2-(methylamino)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol

C21H25N5O3 — CID 24999109

IUPAC[2-methoxy-5-[2-(methylamino)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
SMILESCNc1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(OC)c(CO)c3)nc2n1
InChIInChI=1S/C21H25N5O3/c1-13-12-29-9-8-26(13)20-16-5-6-17(23-19(16)24-21(22-2)25-20)14-4-7-18(28-3)15(10-14)11-27/h4-7,10,13,27H,8-9,11-12H2,1-3H3,(H,22,23,24,25)/t13-/m0/s1
InChIKeyBRRLTJPRSNFRQS-ZDUSSCGKSA-N
MW395.46 g/mol
LogP2.46
Rot. Bonds5

About [2-methoxy-5-[2-(methylamino)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol

[2-methoxy-5-[2-(methylamino)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol (PubChem CID 24999109) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is [2-methoxy-5-[2-(methylamino)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-methoxy-5-[2-(methylamino)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
PubChem CID24999109
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name[2-methoxy-5-[2-(methylamino)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
SMILESCNc1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(OC)c(CO)c3)nc2n1
InChIInChI=1S/C21H25N5O3/c1-13-12-29-9-8-26(13)20-16-5-6-17(23-19(16)24-21(22-2)25-20)14-4-7-18(28-3)15(10-14)11-27/h4-7,10,13,27H,8-9,11-12H2,1-3H3,(H,22,23,24,25)/t13-/m0/s1
InChIKeyBRRLTJPRSNFRQS-ZDUSSCGKSA-N
XLogP2.46
TPSA92.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-[2-(methylamino)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol?
The IUPAC name of [2-methoxy-5-[2-(methylamino)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol (CID 24999109) is [2-methoxy-5-[2-(methylamino)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol.
What is the SMILES notation for [2-methoxy-5-[2-(methylamino)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol?
The canonical SMILES for [2-methoxy-5-[2-(methylamino)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol is CNc1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(OC)c(CO)c3)nc2n1.
What is the InChIKey of [2-methoxy-5-[2-(methylamino)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol?
The InChIKey is BRRLTJPRSNFRQS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-13-12-29-9-8-26(13)20-16-5-6-17(23-19(16)24-21(22-2)25-20)14-4-7-18(28-3)15(10-14)11-27/h4-7,10,13,27H,8-9,11-12H2,1-3H3,(H,22,23,24,25)/t13-/m0/s1.
What are the key properties of [2-methoxy-5-[2-(methylamino)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol?
[2-methoxy-5-[2-(methylamino)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol has a molecular weight of 395.46 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-[2-(methylamino)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol is sourced from PubChem (CID 24999109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).