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

C12H18N4O — CID 117080165

IUPAC[1-[4-(cyclopropylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1nccc(NC2CC2)n1
InChIInChI=1S/C12H18N4O/c17-8-10-2-1-7-16(10)12-13-6-5-11(15-12)14-9-3-4-9/h5-6,9-10,17H,1-4,7-8H2,(H,13,14,15)
InChIKeyIENCMAMKAXLEDM-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.01
Rot. Bonds4

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

[1-[4-(cyclopropylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol (PubChem CID 117080165) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is [1-[4-(cyclopropylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[4-(cyclopropylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
PubChem CID117080165
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name[1-[4-(cyclopropylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1nccc(NC2CC2)n1
InChIInChI=1S/C12H18N4O/c17-8-10-2-1-7-16(10)12-13-6-5-11(15-12)14-9-3-4-9/h5-6,9-10,17H,1-4,7-8H2,(H,13,14,15)
InChIKeyIENCMAMKAXLEDM-UHFFFAOYSA-N
XLogP1.01
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(cyclopropylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[4-(cyclopropylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol (CID 117080165) is [1-[4-(cyclopropylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[4-(cyclopropylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[4-(cyclopropylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol is OCC1CCCN1c1nccc(NC2CC2)n1.
What is the InChIKey of [1-[4-(cyclopropylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
The InChIKey is IENCMAMKAXLEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c17-8-10-2-1-7-16(10)12-13-6-5-11(15-12)14-9-3-4-9/h5-6,9-10,17H,1-4,7-8H2,(H,13,14,15).
What are the key properties of [1-[4-(cyclopropylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
[1-[4-(cyclopropylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol has a molecular weight of 234.30 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(cyclopropylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 117080165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).