(2S)-1-N-(2-morpholin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-3-phenylpropane-1,2-diamine

C20H24N6O — CID 86716813

IUPAC(2S)-1-N-(2-morpholin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-3-phenylpropane-1,2-diamine
SMILESN[C@H](CNc1nc(N2CCOCC2)nc2cnccc12)Cc1ccccc1
InChIInChI=1S/C20H24N6O/c21-16(12-15-4-2-1-3-5-15)13-23-19-17-6-7-22-14-18(17)24-20(25-19)26-8-10-27-11-9-26/h1-7,14,16H,8-13,21H2,(H,23,24,25)/t16-/m0/s1
InChIKeyXTXIISNLQDZXMS-INIZCTEOSA-N
MW364.45 g/mol
LogP1.84
Rot. Bonds6

About (2S)-1-N-(2-morpholin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-3-phenylpropane-1,2-diamine

(2S)-1-N-(2-morpholin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-3-phenylpropane-1,2-diamine (PubChem CID 86716813) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is (2S)-1-N-(2-morpholin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-3-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1-N-(2-morpholin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-3-phenylpropane-1,2-diamine
PubChem CID86716813
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name(2S)-1-N-(2-morpholin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-3-phenylpropane-1,2-diamine
SMILESN[C@H](CNc1nc(N2CCOCC2)nc2cnccc12)Cc1ccccc1
InChIInChI=1S/C20H24N6O/c21-16(12-15-4-2-1-3-5-15)13-23-19-17-6-7-22-14-18(17)24-20(25-19)26-8-10-27-11-9-26/h1-7,14,16H,8-13,21H2,(H,23,24,25)/t16-/m0/s1
InChIKeyXTXIISNLQDZXMS-INIZCTEOSA-N
XLogP1.84
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-(2-morpholin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-3-phenylpropane-1,2-diamine?
The IUPAC name of (2S)-1-N-(2-morpholin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-3-phenylpropane-1,2-diamine (CID 86716813) is (2S)-1-N-(2-morpholin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-3-phenylpropane-1,2-diamine.
What is the SMILES notation for (2S)-1-N-(2-morpholin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-3-phenylpropane-1,2-diamine?
The canonical SMILES for (2S)-1-N-(2-morpholin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-3-phenylpropane-1,2-diamine is N[C@H](CNc1nc(N2CCOCC2)nc2cnccc12)Cc1ccccc1.
What is the InChIKey of (2S)-1-N-(2-morpholin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-3-phenylpropane-1,2-diamine?
The InChIKey is XTXIISNLQDZXMS-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24N6O/c21-16(12-15-4-2-1-3-5-15)13-23-19-17-6-7-22-14-18(17)24-20(25-19)26-8-10-27-11-9-26/h1-7,14,16H,8-13,21H2,(H,23,24,25)/t16-/m0/s1.
What are the key properties of (2S)-1-N-(2-morpholin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-3-phenylpropane-1,2-diamine?
(2S)-1-N-(2-morpholin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-3-phenylpropane-1,2-diamine has a molecular weight of 364.45 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-(2-morpholin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-3-phenylpropane-1,2-diamine is sourced from PubChem (CID 86716813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).