3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-phenylpropan-1-ol

C22H25N5O — CID 25033336

IUPAC3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-phenylpropan-1-ol
SMILESCc1ccc(N2CCc3ncnc(NC(CCO)c4ccccc4)c3C2)nc1
InChIInChI=1S/C22H25N5O/c1-16-7-8-21(23-13-16)27-11-9-20-18(14-27)22(25-15-24-20)26-19(10-12-28)17-5-3-2-4-6-17/h2-8,13,15,19,28H,9-12,14H2,1H3,(H,24,25,26)
InChIKeyDMPAJVSIPCPEOU-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.28
Rot. Bonds6

About 3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-phenylpropan-1-ol

3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-phenylpropan-1-ol (PubChem CID 25033336) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-phenylpropan-1-ol
PubChem CID25033336
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-phenylpropan-1-ol
SMILESCc1ccc(N2CCc3ncnc(NC(CCO)c4ccccc4)c3C2)nc1
InChIInChI=1S/C22H25N5O/c1-16-7-8-21(23-13-16)27-11-9-20-18(14-27)22(25-15-24-20)26-19(10-12-28)17-5-3-2-4-6-17/h2-8,13,15,19,28H,9-12,14H2,1H3,(H,24,25,26)
InChIKeyDMPAJVSIPCPEOU-UHFFFAOYSA-N
XLogP3.28
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-phenylpropan-1-ol?
The IUPAC name of 3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-phenylpropan-1-ol (CID 25033336) is 3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-phenylpropan-1-ol.
What is the SMILES notation for 3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-phenylpropan-1-ol?
The canonical SMILES for 3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-phenylpropan-1-ol is Cc1ccc(N2CCc3ncnc(NC(CCO)c4ccccc4)c3C2)nc1.
What is the InChIKey of 3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-phenylpropan-1-ol?
The InChIKey is DMPAJVSIPCPEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-16-7-8-21(23-13-16)27-11-9-20-18(14-27)22(25-15-24-20)26-19(10-12-28)17-5-3-2-4-6-17/h2-8,13,15,19,28H,9-12,14H2,1H3,(H,24,25,26).
What are the key properties of 3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-phenylpropan-1-ol?
3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-phenylpropan-1-ol has a molecular weight of 375.48 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-phenylpropan-1-ol is sourced from PubChem (CID 25033336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).