4-[1-(cyclopropylmethyl)pyrrolidin-3-yl]pyrimidin-2-amine

C12H18N4 — CID 110269911

IUPAC4-[1-(cyclopropylmethyl)pyrrolidin-3-yl]pyrimidin-2-amine
SMILESNc1nccc(C2CCN(CC3CC3)C2)n1
InChIInChI=1S/C12H18N4/c13-12-14-5-3-11(15-12)10-4-6-16(8-10)7-9-1-2-9/h3,5,9-10H,1-2,4,6-8H2,(H2,13,14,15)
InChIKeyZABXUIGRLCJRIE-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.26
Rot. Bonds3

About 4-[1-(cyclopropylmethyl)pyrrolidin-3-yl]pyrimidin-2-amine

4-[1-(cyclopropylmethyl)pyrrolidin-3-yl]pyrimidin-2-amine (PubChem CID 110269911) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-[1-(cyclopropylmethyl)pyrrolidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[1-(cyclopropylmethyl)pyrrolidin-3-yl]pyrimidin-2-amine
PubChem CID110269911
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name4-[1-(cyclopropylmethyl)pyrrolidin-3-yl]pyrimidin-2-amine
SMILESNc1nccc(C2CCN(CC3CC3)C2)n1
InChIInChI=1S/C12H18N4/c13-12-14-5-3-11(15-12)10-4-6-16(8-10)7-9-1-2-9/h3,5,9-10H,1-2,4,6-8H2,(H2,13,14,15)
InChIKeyZABXUIGRLCJRIE-UHFFFAOYSA-N
XLogP1.26
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-Butylpyrimidin-2-amine
CID 12450631
4-Cyclopropylpyrimidin-2-amine
CID 3299593
N,N-dimethyl-4-propylpyrimidin-2-amine
CID 10820940
4-Isopropyl-N,N-dimethylpyrimidin-2-amine
CID 10820941
4-tert-butyl-N,N-dimethylpyrimidin-2-amine
CID 12450609
4-tert-butyl-N-methylpyrimidin-2-amine
CID 12450610
4-ethyl-N,N-dimethylpyrimidin-2-amine
CID 44347601
N,N-dimethyl-6-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
CID 73439395
4-Isobutylpyrimidine
CID 565104
4-Cyclohexylpyrimidine
CID 11672715
4-(Pyrrolidin-2-yl)pyrimidine
CID 13639423
4-(Propan-2-yl)pyrimidin-2-amine
CID 14639241

Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclopropylmethyl)pyrrolidin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[1-(cyclopropylmethyl)pyrrolidin-3-yl]pyrimidin-2-amine (CID 110269911) is 4-[1-(cyclopropylmethyl)pyrrolidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[1-(cyclopropylmethyl)pyrrolidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[1-(cyclopropylmethyl)pyrrolidin-3-yl]pyrimidin-2-amine is Nc1nccc(C2CCN(CC3CC3)C2)n1.
What is the InChIKey of 4-[1-(cyclopropylmethyl)pyrrolidin-3-yl]pyrimidin-2-amine?
The InChIKey is ZABXUIGRLCJRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c13-12-14-5-3-11(15-12)10-4-6-16(8-10)7-9-1-2-9/h3,5,9-10H,1-2,4,6-8H2,(H2,13,14,15).
What are the key properties of 4-[1-(cyclopropylmethyl)pyrrolidin-3-yl]pyrimidin-2-amine?
4-[1-(cyclopropylmethyl)pyrrolidin-3-yl]pyrimidin-2-amine has a molecular weight of 218.30 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclopropylmethyl)pyrrolidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 110269911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).