4-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine

C12H18N4 — CID 83836767

IUPAC4-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
SMILESc1cc(C2CC2)nc(NCC2CCCN2)n1
InChIInChI=1S/C12H18N4/c1-2-10(13-6-1)8-15-12-14-7-5-11(16-12)9-3-4-9/h5,7,9-10,13H,1-4,6,8H2,(H,14,15,16)
InChIKeyZJXOMSZYGDJITA-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.52
Rot. Bonds4

About 4-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine

4-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine (PubChem CID 83836767) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
PubChem CID83836767
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name4-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
SMILESc1cc(C2CC2)nc(NCC2CCCN2)n1
InChIInChI=1S/C12H18N4/c1-2-10(13-6-1)8-15-12-14-7-5-11(16-12)9-3-4-9/h5,7,9-10,13H,1-4,6,8H2,(H,14,15,16)
InChIKeyZJXOMSZYGDJITA-UHFFFAOYSA-N
XLogP1.52
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
CID 83836780
4-(azepan-1-yl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 66908167
5-cyclohexyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 116974804
4-cyclopropyl-N-piperidin-3-ylpyrimidin-2-amine
CID 83836771
4-cyclopentyl-N-(oxan-2-ylmethyl)pyrimidin-2-amine
CID 56869794
N'-(4-cyclopropylpyrimidin-2-yl)propane-1,3-diamine
CID 83830250
5-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 116974799
2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71643330
5-tert-butyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 116974786
4,5-dimethyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine
CID 83838031
4-propoxy-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine
CID 114794433
4-(1-methylpyrrolidin-3-yl)-2-(pyrrolidin-2-ylmethyl)pyrimidine
CID 116898933

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine (CID 83836767) is 4-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine is c1cc(C2CC2)nc(NCC2CCCN2)n1.
What is the InChIKey of 4-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is ZJXOMSZYGDJITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-2-10(13-6-1)8-15-12-14-7-5-11(16-12)9-3-4-9/h5,7,9-10,13H,1-4,6,8H2,(H,14,15,16).
What are the key properties of 4-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine?
4-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 218.30 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 83836767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).