1-(pyrimidin-4-ylmethyl)pyrrolidin-3-amine

C9H14N4 — CID 63988082

IUPAC1-(pyrimidin-4-ylmethyl)pyrrolidin-3-amine
SMILESNC1CCN(Cc2ccncn2)C1
InChIInChI=1S/C9H14N4/c10-8-2-4-13(5-8)6-9-1-3-11-7-12-9/h1,3,7-8H,2,4-6,10H2
InChIKeyCXMNOCQHLIRBLB-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.01
Rot. Bonds2

About 1-(pyrimidin-4-ylmethyl)pyrrolidin-3-amine

1-(pyrimidin-4-ylmethyl)pyrrolidin-3-amine (PubChem CID 63988082) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 1-(pyrimidin-4-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(pyrimidin-4-ylmethyl)pyrrolidin-3-amine
PubChem CID63988082
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name1-(pyrimidin-4-ylmethyl)pyrrolidin-3-amine
SMILESNC1CCN(Cc2ccncn2)C1
InChIInChI=1S/C9H14N4/c10-8-2-4-13(5-8)6-9-1-3-11-7-12-9/h1,3,7-8H,2,4-6,10H2
InChIKeyCXMNOCQHLIRBLB-UHFFFAOYSA-N
XLogP0.01
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(pyrimidin-4-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of 1-(pyrimidin-4-ylmethyl)pyrrolidin-3-amine (CID 63988082) is 1-(pyrimidin-4-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(pyrimidin-4-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for 1-(pyrimidin-4-ylmethyl)pyrrolidin-3-amine is NC1CCN(Cc2ccncn2)C1.
What is the InChIKey of 1-(pyrimidin-4-ylmethyl)pyrrolidin-3-amine?
The InChIKey is CXMNOCQHLIRBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c10-8-2-4-13(5-8)6-9-1-3-11-7-12-9/h1,3,7-8H,2,4-6,10H2.
What are the key properties of 1-(pyrimidin-4-ylmethyl)pyrrolidin-3-amine?
1-(pyrimidin-4-ylmethyl)pyrrolidin-3-amine has a molecular weight of 178.24 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrimidin-4-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 63988082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).