1-[(4-methoxypyrimidin-2-yl)amino]-3-phenylpropan-2-ol

C14H17N3O2 — CID 133289929

IUPAC1-[(4-methoxypyrimidin-2-yl)amino]-3-phenylpropan-2-ol
SMILESCOc1ccnc(NCC(O)Cc2ccccc2)n1
InChIInChI=1S/C14H17N3O2/c1-19-13-7-8-15-14(17-13)16-10-12(18)9-11-5-3-2-4-6-11/h2-8,12,18H,9-10H2,1H3,(H,15,16,17)
InChIKeyKHJMPJHWJPTQGZ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.50
Rot. Bonds6

About 1-[(4-methoxypyrimidin-2-yl)amino]-3-phenylpropan-2-ol

1-[(4-methoxypyrimidin-2-yl)amino]-3-phenylpropan-2-ol (PubChem CID 133289929) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-[(4-methoxypyrimidin-2-yl)amino]-3-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[(4-methoxypyrimidin-2-yl)amino]-3-phenylpropan-2-ol
PubChem CID133289929
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-[(4-methoxypyrimidin-2-yl)amino]-3-phenylpropan-2-ol
SMILESCOc1ccnc(NCC(O)Cc2ccccc2)n1
InChIInChI=1S/C14H17N3O2/c1-19-13-7-8-15-14(17-13)16-10-12(18)9-11-5-3-2-4-6-11/h2-8,12,18H,9-10H2,1H3,(H,15,16,17)
InChIKeyKHJMPJHWJPTQGZ-UHFFFAOYSA-N
XLogP1.50
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxypyrimidin-2-yl)amino]-3-phenylpropan-2-ol?
The IUPAC name of 1-[(4-methoxypyrimidin-2-yl)amino]-3-phenylpropan-2-ol (CID 133289929) is 1-[(4-methoxypyrimidin-2-yl)amino]-3-phenylpropan-2-ol.
What is the SMILES notation for 1-[(4-methoxypyrimidin-2-yl)amino]-3-phenylpropan-2-ol?
The canonical SMILES for 1-[(4-methoxypyrimidin-2-yl)amino]-3-phenylpropan-2-ol is COc1ccnc(NCC(O)Cc2ccccc2)n1.
What is the InChIKey of 1-[(4-methoxypyrimidin-2-yl)amino]-3-phenylpropan-2-ol?
The InChIKey is KHJMPJHWJPTQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-19-13-7-8-15-14(17-13)16-10-12(18)9-11-5-3-2-4-6-11/h2-8,12,18H,9-10H2,1H3,(H,15,16,17).
What are the key properties of 1-[(4-methoxypyrimidin-2-yl)amino]-3-phenylpropan-2-ol?
1-[(4-methoxypyrimidin-2-yl)amino]-3-phenylpropan-2-ol has a molecular weight of 259.31 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxypyrimidin-2-yl)amino]-3-phenylpropan-2-ol is sourced from PubChem (CID 133289929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).