4-(1-methylpiperidin-4-yl)-6-pyrrolidin-1-ylpyrimidin-2-amine

C14H23N5 — CID 67302185

IUPAC4-(1-methylpiperidin-4-yl)-6-pyrrolidin-1-ylpyrimidin-2-amine
SMILESCN1CCC(c2cc(N3CCCC3)nc(N)n2)CC1
InChIInChI=1S/C14H23N5/c1-18-8-4-11(5-9-18)12-10-13(17-14(15)16-12)19-6-2-3-7-19/h10-11H,2-9H2,1H3,(H2,15,16,17)
InChIKeyACDHLMFZKOLJKS-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.47
Rot. Bonds2

About 4-(1-methylpiperidin-4-yl)-6-pyrrolidin-1-ylpyrimidin-2-amine

4-(1-methylpiperidin-4-yl)-6-pyrrolidin-1-ylpyrimidin-2-amine (PubChem CID 67302185) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-(1-methylpiperidin-4-yl)-6-pyrrolidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(1-methylpiperidin-4-yl)-6-pyrrolidin-1-ylpyrimidin-2-amine
PubChem CID67302185
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name4-(1-methylpiperidin-4-yl)-6-pyrrolidin-1-ylpyrimidin-2-amine
SMILESCN1CCC(c2cc(N3CCCC3)nc(N)n2)CC1
InChIInChI=1S/C14H23N5/c1-18-8-4-11(5-9-18)12-10-13(17-14(15)16-12)19-6-2-3-7-19/h10-11H,2-9H2,1H3,(H2,15,16,17)
InChIKeyACDHLMFZKOLJKS-UHFFFAOYSA-N
XLogP1.47
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpiperidin-4-yl)-6-pyrrolidin-1-ylpyrimidin-2-amine?
The IUPAC name of 4-(1-methylpiperidin-4-yl)-6-pyrrolidin-1-ylpyrimidin-2-amine (CID 67302185) is 4-(1-methylpiperidin-4-yl)-6-pyrrolidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(1-methylpiperidin-4-yl)-6-pyrrolidin-1-ylpyrimidin-2-amine?
The canonical SMILES for 4-(1-methylpiperidin-4-yl)-6-pyrrolidin-1-ylpyrimidin-2-amine is CN1CCC(c2cc(N3CCCC3)nc(N)n2)CC1.
What is the InChIKey of 4-(1-methylpiperidin-4-yl)-6-pyrrolidin-1-ylpyrimidin-2-amine?
The InChIKey is ACDHLMFZKOLJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-18-8-4-11(5-9-18)12-10-13(17-14(15)16-12)19-6-2-3-7-19/h10-11H,2-9H2,1H3,(H2,15,16,17).
What are the key properties of 4-(1-methylpiperidin-4-yl)-6-pyrrolidin-1-ylpyrimidin-2-amine?
4-(1-methylpiperidin-4-yl)-6-pyrrolidin-1-ylpyrimidin-2-amine has a molecular weight of 261.37 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpiperidin-4-yl)-6-pyrrolidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 67302185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).