1-[1-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol

C16H28N4O — CID 115967468

IUPAC1-[1-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
SMILESCCCNc1ncnc(N2CCC(C(C)O)C2)c1C(C)C
InChIInChI=1S/C16H28N4O/c1-5-7-17-15-14(11(2)3)16(19-10-18-15)20-8-6-13(9-20)12(4)21/h10-13,21H,5-9H2,1-4H3,(H,17,18,19)
InChIKeyZNGJYYOVDLNHGC-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.63
Rot. Bonds6

About 1-[1-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol

1-[1-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol (PubChem CID 115967468) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-[1-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
PubChem CID115967468
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name1-[1-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
SMILESCCCNc1ncnc(N2CCC(C(C)O)C2)c1C(C)C
InChIInChI=1S/C16H28N4O/c1-5-7-17-15-14(11(2)3)16(19-10-18-15)20-8-6-13(9-20)12(4)21/h10-13,21H,5-9H2,1-4H3,(H,17,18,19)
InChIKeyZNGJYYOVDLNHGC-UHFFFAOYSA-N
XLogP2.63
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol (CID 115967468) is 1-[1-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol is CCCNc1ncnc(N2CCC(C(C)O)C2)c1C(C)C.
What is the InChIKey of 1-[1-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol?
The InChIKey is ZNGJYYOVDLNHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-5-7-17-15-14(11(2)3)16(19-10-18-15)20-8-6-13(9-20)12(4)21/h10-13,21H,5-9H2,1-4H3,(H,17,18,19).
What are the key properties of 1-[1-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol?
1-[1-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol has a molecular weight of 292.43 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 115967468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).