6-(3-aminocyclobutyl)-2-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]pyrimidin-4-amine

C19H27N5S — CID 91761753

IUPAC6-(3-aminocyclobutyl)-2-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]pyrimidin-4-amine
SMILESCc1nc(CCCNc2cc(C3CC(N)C3)nc(C3CC3)n2)sc1C
InChIInChI=1S/C19H27N5S/c1-11-12(2)25-18(22-11)4-3-7-21-17-10-16(14-8-15(20)9-14)23-19(24-17)13-5-6-13/h10,13-15H,3-9,20H2,1-2H3,(H,21,23,24)
InChIKeyXVYRVAKLXNRIIV-UHFFFAOYSA-N
MW357.53 g/mol
LogP3.68
Rot. Bonds7

About 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]pyrimidin-4-amine

6-(3-aminocyclobutyl)-2-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]pyrimidin-4-amine (PubChem CID 91761753) has the molecular formula C19H27N5S and a molecular weight of 357.53 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-2-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]pyrimidin-4-amine
PubChem CID91761753
Molecular FormulaC19H27N5S
Molecular Weight357.53 g/mol
Exact Mass357.20
IUPAC Name6-(3-aminocyclobutyl)-2-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]pyrimidin-4-amine
SMILESCc1nc(CCCNc2cc(C3CC(N)C3)nc(C3CC3)n2)sc1C
InChIInChI=1S/C19H27N5S/c1-11-12(2)25-18(22-11)4-3-7-21-17-10-16(14-8-15(20)9-14)23-19(24-17)13-5-6-13/h10,13-15H,3-9,20H2,1-2H3,(H,21,23,24)
InChIKeyXVYRVAKLXNRIIV-UHFFFAOYSA-N
XLogP3.68
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.53
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine
CID 91795318
6-(3-aminocyclobutyl)-2-cyclopropyl-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]pyrimidin-4-amine
CID 91790373
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
6-(3-aminocyclobutyl)-2-cyclopropyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pyrimidin-4-amine;dihydrochloride
CID 154902388
6-(3-aminocyclobutyl)-2-cyclopropyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine
CID 91782142
6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine;dihydrochloride
CID 154901872
6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]pyrimidin-4-amine
CID 91793326
N'-[6-(3-aminocyclobutyl)-2-cyclopropylpyrimidin-4-yl]-N-pyridin-3-ylethane-1,2-diamine;dihydrochloride
CID 154902435
6-(3-aminocyclobutyl)-N-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropylpyrimidin-4-amine;dihydrochloride
CID 154901707
1-[2-[[6-(3-aminocyclobutyl)-2-cyclopropylpyrimidin-4-yl]amino]ethyl]pyrrolidin-2-one;dihydrochloride
CID 154902473
5-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1,3,4-oxadiazol-2-amine
CID 72887902

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]pyrimidin-4-amine?
The IUPAC name of 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]pyrimidin-4-amine (CID 91761753) is 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]pyrimidin-4-amine?
The canonical SMILES for 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]pyrimidin-4-amine is Cc1nc(CCCNc2cc(C3CC(N)C3)nc(C3CC3)n2)sc1C.
What is the InChIKey of 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]pyrimidin-4-amine?
The InChIKey is XVYRVAKLXNRIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5S/c1-11-12(2)25-18(22-11)4-3-7-21-17-10-16(14-8-15(20)9-14)23-19(24-17)13-5-6-13/h10,13-15H,3-9,20H2,1-2H3,(H,21,23,24).
What are the key properties of 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]pyrimidin-4-amine?
6-(3-aminocyclobutyl)-2-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]pyrimidin-4-amine has a molecular weight of 357.53 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]pyrimidin-4-amine is sourced from PubChem (CID 91761753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).