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

C12H18N4 — CID 83836780

IUPAC2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
SMILESc1cc(NCC2CCCN2)nc(C2CC2)n1
InChIInChI=1S/C12H18N4/c1-2-10(13-6-1)8-15-11-5-7-14-12(16-11)9-3-4-9/h5,7,9-10,13H,1-4,6,8H2,(H,14,15,16)
InChIKeyKEKDLBPEBHFREI-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.52
Rot. Bonds4

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

2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine (PubChem CID 83836780) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
PubChem CID83836780
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
SMILESc1cc(NCC2CCCN2)nc(C2CC2)n1
InChIInChI=1S/C12H18N4/c1-2-10(13-6-1)8-15-11-5-7-14-12(16-11)9-3-4-9/h5,7,9-10,13H,1-4,6,8H2,(H,14,15,16)
InChIKeyKEKDLBPEBHFREI-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-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71643330
4-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 83836767
5-fluoro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 62542199
5-bromo-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 62542194
2-N,2-N-dimethyl-4-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidine-2,4-diamine
CID 104972916
2-chloro-4-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine
CID 106638659
4-tert-butyl-N-(piperidin-2-ylmethyl)pyridin-2-amine
CID 126546174
3-bromo-4-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106876097
6-fluoro-N-(pyrrolidin-2-ylmethyl)isoquinolin-1-amine
CID 115054238
4-(azepan-1-yl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 66908167
6-ethoxy-N-(piperidin-2-ylmethyl)pyridin-2-amine
CID 63591675
2-[(2-cyclopropylpyrimidin-4-yl)amino]acetic acid
CID 83830305

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine (CID 83836780) is 2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine is c1cc(NCC2CCCN2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is KEKDLBPEBHFREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-2-10(13-6-1)8-15-11-5-7-14-12(16-11)9-3-4-9/h5,7,9-10,13H,1-4,6,8H2,(H,14,15,16).
What are the key properties of 2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine?
2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-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 2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 83836780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).