1-[1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol

C15H26N4O — CID 115967433

IUPAC1-[1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
SMILESCCCNc1ncnc(N2CCC(C(C)O)C2)c1CC
InChIInChI=1S/C15H26N4O/c1-4-7-16-14-13(5-2)15(18-10-17-14)19-8-6-12(9-19)11(3)20/h10-12,20H,4-9H2,1-3H3,(H,16,17,18)
InChIKeySFDQWKSYKLLLAG-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.07
Rot. Bonds6

About 1-[1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol

1-[1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol (PubChem CID 115967433) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
PubChem CID115967433
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-[1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
SMILESCCCNc1ncnc(N2CCC(C(C)O)C2)c1CC
InChIInChI=1S/C15H26N4O/c1-4-7-16-14-13(5-2)15(18-10-17-14)19-8-6-12(9-19)11(3)20/h10-12,20H,4-9H2,1-3H3,(H,16,17,18)
InChIKeySFDQWKSYKLLLAG-UHFFFAOYSA-N
XLogP2.07
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol (CID 115967433) is 1-[1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol is CCCNc1ncnc(N2CCC(C(C)O)C2)c1CC.
What is the InChIKey of 1-[1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol?
The InChIKey is SFDQWKSYKLLLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-7-16-14-13(5-2)15(18-10-17-14)19-8-6-12(9-19)11(3)20/h10-12,20H,4-9H2,1-3H3,(H,16,17,18).
What are the key properties of 1-[1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol?
1-[1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol has a molecular weight of 278.40 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 115967433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).