[1-[4-(propylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol

C12H20N4O — CID 117079609

IUPAC[1-[4-(propylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
SMILESCCCNc1ccnc(N2CCCC2CO)n1
InChIInChI=1S/C12H20N4O/c1-2-6-13-11-5-7-14-12(15-11)16-8-3-4-10(16)9-17/h5,7,10,17H,2-4,6,8-9H2,1H3,(H,13,14,15)
InChIKeyHBUKMRYDXNDNDU-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.26
Rot. Bonds5

About [1-[4-(propylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol

[1-[4-(propylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol (PubChem CID 117079609) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is [1-[4-(propylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[4-(propylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
PubChem CID117079609
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name[1-[4-(propylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
SMILESCCCNc1ccnc(N2CCCC2CO)n1
InChIInChI=1S/C12H20N4O/c1-2-6-13-11-5-7-14-12(15-11)16-8-3-4-10(16)9-17/h5,7,10,17H,2-4,6,8-9H2,1H3,(H,13,14,15)
InChIKeyHBUKMRYDXNDNDU-UHFFFAOYSA-N
XLogP1.26
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(propylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[4-(propylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol (CID 117079609) is [1-[4-(propylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[4-(propylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[4-(propylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol is CCCNc1ccnc(N2CCCC2CO)n1.
What is the InChIKey of [1-[4-(propylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
The InChIKey is HBUKMRYDXNDNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-6-13-11-5-7-14-12(15-11)16-8-3-4-10(16)9-17/h5,7,10,17H,2-4,6,8-9H2,1H3,(H,13,14,15).
What are the key properties of [1-[4-(propylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
[1-[4-(propylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol has a molecular weight of 236.32 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(propylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 117079609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).