6-(3-aminocyclobutyl)-2-cyclopropyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine

C18H23N5 — CID 91782142

IUPAC6-(3-aminocyclobutyl)-2-cyclopropyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine
SMILESNC1CC(c2cc(NCCc3cccnc3)nc(C3CC3)n2)C1
InChIInChI=1S/C18H23N5/c19-15-8-14(9-15)16-10-17(23-18(22-16)13-3-4-13)21-7-5-12-2-1-6-20-11-12/h1-2,6,10-11,13-15H,3-5,7-9,19H2,(H,21,22,23)
InChIKeyYWXCWFCUQDLQKI-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.61
Rot. Bonds6

About 6-(3-aminocyclobutyl)-2-cyclopropyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine

6-(3-aminocyclobutyl)-2-cyclopropyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine (PubChem CID 91782142) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-2-cyclopropyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-2-cyclopropyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine
PubChem CID91782142
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC Name6-(3-aminocyclobutyl)-2-cyclopropyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine
SMILESNC1CC(c2cc(NCCc3cccnc3)nc(C3CC3)n2)C1
InChIInChI=1S/C18H23N5/c19-15-8-14(9-15)16-10-17(23-18(22-16)13-3-4-13)21-7-5-12-2-1-6-20-11-12/h1-2,6,10-11,13-15H,3-5,7-9,19H2,(H,21,22,23)
InChIKeyYWXCWFCUQDLQKI-UHFFFAOYSA-N
XLogP2.61
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[6-(3-aminocyclobutyl)-2-cyclopropylpyrimidin-4-yl]-N-pyridin-3-ylethane-1,2-diamine;dihydrochloride
CID 154902435
2-cyclopropyl-6-N-methyl-4-N-(2-pyridin-3-ylethyl)pyrimidine-4,6-diamine
CID 80968028
6-(3-aminocyclobutyl)-4-N-[3-(pyridin-3-ylamino)propyl]pyrimidine-2,4-diamine
CID 91779112
6-(3-aminocyclobutyl)-4-N-[2-(3-chlorophenyl)ethyl]pyrimidine-2,4-diamine
CID 91765713
2-[2-[[6-(3-aminocyclobutyl)-2-cyclopropylpyrimidin-4-yl]amino]ethyl]-4-methyl-1H-pyrimidin-6-one
CID 136664988
6-(3-aminocyclobutyl)-N-(2-cyclohexylsulfanylethyl)-2-cyclopropylpyrimidin-4-amine;dihydrochloride
CID 154901879
4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4,6-triamine
CID 80791747
2-cyclopropyl-6-methoxy-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 82456386
6-(3-aminocyclobutyl)-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 91766519
6-(3-aminocyclobutyl)-2-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]pyrimidin-4-amine
CID 91761753
6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine
CID 91795318
6-(3-aminocyclobutyl)-4-N-(3-pyridin-4-ylpropyl)pyrimidine-2,4-diamine
CID 91787226

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-2-cyclopropyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine?
The IUPAC name of 6-(3-aminocyclobutyl)-2-cyclopropyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine (CID 91782142) is 6-(3-aminocyclobutyl)-2-cyclopropyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-2-cyclopropyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(3-aminocyclobutyl)-2-cyclopropyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine is NC1CC(c2cc(NCCc3cccnc3)nc(C3CC3)n2)C1.
What is the InChIKey of 6-(3-aminocyclobutyl)-2-cyclopropyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine?
The InChIKey is YWXCWFCUQDLQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5/c19-15-8-14(9-15)16-10-17(23-18(22-16)13-3-4-13)21-7-5-12-2-1-6-20-11-12/h1-2,6,10-11,13-15H,3-5,7-9,19H2,(H,21,22,23).
What are the key properties of 6-(3-aminocyclobutyl)-2-cyclopropyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine?
6-(3-aminocyclobutyl)-2-cyclopropyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine has a molecular weight of 309.42 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-2-cyclopropyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 91782142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).