1-[(6-ethylpyrimidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol

C13H22N4O — CID 72886771

IUPAC1-[(6-ethylpyrimidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol
SMILESCCc1cc(NCC(O)CN2CCCC2)ncn1
InChIInChI=1S/C13H22N4O/c1-2-11-7-13(16-10-15-11)14-8-12(18)9-17-5-3-4-6-17/h7,10,12,18H,2-6,8-9H2,1H3,(H,14,15,16)
InChIKeyCDOLQPKSQBOSST-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.91
Rot. Bonds6

About 1-[(6-ethylpyrimidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol

1-[(6-ethylpyrimidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 72886771) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-[(6-ethylpyrimidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(6-ethylpyrimidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID72886771
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-[(6-ethylpyrimidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol
SMILESCCc1cc(NCC(O)CN2CCCC2)ncn1
InChIInChI=1S/C13H22N4O/c1-2-11-7-13(16-10-15-11)14-8-12(18)9-17-5-3-4-6-17/h7,10,12,18H,2-6,8-9H2,1H3,(H,14,15,16)
InChIKeyCDOLQPKSQBOSST-UHFFFAOYSA-N
XLogP0.91
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-ethylpyrimidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-[(6-ethylpyrimidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol (CID 72886771) is 1-[(6-ethylpyrimidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[(6-ethylpyrimidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[(6-ethylpyrimidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol is CCc1cc(NCC(O)CN2CCCC2)ncn1.
What is the InChIKey of 1-[(6-ethylpyrimidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is CDOLQPKSQBOSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-11-7-13(16-10-15-11)14-8-12(18)9-17-5-3-4-6-17/h7,10,12,18H,2-6,8-9H2,1H3,(H,14,15,16).
What are the key properties of 1-[(6-ethylpyrimidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol?
1-[(6-ethylpyrimidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 250.35 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-ethylpyrimidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 72886771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).