6-(3-aminocyclobutyl)-4-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrimidine-2,4-diamine

C16H20F3N7 — CID 91760808

IUPAC6-(3-aminocyclobutyl)-4-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrimidine-2,4-diamine
SMILESCc1cc(C(F)(F)F)nc(CCNc2cc(C3CC(N)C3)nc(N)n2)n1
InChIInChI=1S/C16H20F3N7/c1-8-4-12(16(17,18)19)25-13(23-8)2-3-22-14-7-11(24-15(21)26-14)9-5-10(20)6-9/h4,7,9-10H,2-3,5-6,20H2,1H3,(H3,21,22,24,26)
InChIKeyULSQCZXGCGELNB-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.04
Rot. Bonds5

About 6-(3-aminocyclobutyl)-4-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrimidine-2,4-diamine

6-(3-aminocyclobutyl)-4-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrimidine-2,4-diamine (PubChem CID 91760808) has the molecular formula C16H20F3N7 and a molecular weight of 367.38 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-4-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-4-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrimidine-2,4-diamine
PubChem CID91760808
Molecular FormulaC16H20F3N7
Molecular Weight367.38 g/mol
Exact Mass367.17
IUPAC Name6-(3-aminocyclobutyl)-4-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrimidine-2,4-diamine
SMILESCc1cc(C(F)(F)F)nc(CCNc2cc(C3CC(N)C3)nc(N)n2)n1
InChIInChI=1S/C16H20F3N7/c1-8-4-12(16(17,18)19)25-13(23-8)2-3-22-14-7-11(24-15(21)26-14)9-5-10(20)6-9/h4,7,9-10H,2-3,5-6,20H2,1H3,(H3,21,22,24,26)
InChIKeyULSQCZXGCGELNB-UHFFFAOYSA-N
XLogP2.04
TPSA115.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-Cyclopentyl-6-(piperazin-1-yl)-pyrimidin-2-ylamine
CID 24798144
4-cyclobutyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 53257796
4-[(3R)-3-aminopiperidin-1-yl]-6-cyclopentylpyrimidin-2-amine
CID 24994630
2,4-Diisobutylamino-6-isopentylpyrimidine
CID 9994500
4-N-tert-butyl-6-N-[(1R)-1-cyclopropylethyl]-2-[6-(trifluoromethyl)pyridin-2-yl]pyrimidine-4,6-diamine
CID 117817175
4-N-cyclopentyl-6-piperidin-4-ylpyrimidine-2,4-diamine
CID 118720440
N2-dimethyl-N2,N4-diisobutyl-(6-isopentyl-pyrimidin-2,4-yl)-diamine
CID 25131214
1-(2-methyl-6-propylpyrimidin-4-yl)-N-(3,4,5-trifluorobenzyl)piperidin-4-amine
CID 72870984
4-Cyclopentyl-6-piperidin-4-ylpyrimidin-2-amine
CID 118720439
[4-Cycloheptyl-6-(3-piperidin-1-ium-1-ylpropyl)pyrimidin-2-yl]methanimine
CID 72200132
N4-methyl-N2,N4-diisobutyl-(6-isopentyl-pyrimidin-2,4-yl)-diamine
CID 25129166
N2,N4,6-triisobutylpyrimidine-2,4-diamine
CID 46880832

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-4-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-(3-aminocyclobutyl)-4-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrimidine-2,4-diamine (CID 91760808) is 6-(3-aminocyclobutyl)-4-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-4-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-(3-aminocyclobutyl)-4-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrimidine-2,4-diamine is Cc1cc(C(F)(F)F)nc(CCNc2cc(C3CC(N)C3)nc(N)n2)n1.
What is the InChIKey of 6-(3-aminocyclobutyl)-4-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrimidine-2,4-diamine?
The InChIKey is ULSQCZXGCGELNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N7/c1-8-4-12(16(17,18)19)25-13(23-8)2-3-22-14-7-11(24-15(21)26-14)9-5-10(20)6-9/h4,7,9-10H,2-3,5-6,20H2,1H3,(H3,21,22,24,26).
What are the key properties of 6-(3-aminocyclobutyl)-4-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrimidine-2,4-diamine?
6-(3-aminocyclobutyl)-4-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrimidine-2,4-diamine has a molecular weight of 367.38 g/mol, XLogP of 2.04, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-4-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 91760808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).