N,N-dimethyl-2-(4-propyl-1,4-diazepan-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine

C15H24F3N5 — CID 133314312

IUPACN,N-dimethyl-2-(4-propyl-1,4-diazepan-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCN1CCCN(c2nc(N(C)C)cc(C(F)(F)F)n2)CC1
InChIInChI=1S/C15H24F3N5/c1-4-6-22-7-5-8-23(10-9-22)14-19-12(15(16,17)18)11-13(20-14)21(2)3/h11H,4-10H2,1-3H3
InChIKeySIKCMGZVAOOCSR-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.48
Rot. Bonds4

About N,N-dimethyl-2-(4-propyl-1,4-diazepan-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine

N,N-dimethyl-2-(4-propyl-1,4-diazepan-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 133314312) has the molecular formula C15H24F3N5 and a molecular weight of 331.39 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-propyl-1,4-diazepan-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-propyl-1,4-diazepan-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID133314312
Molecular FormulaC15H24F3N5
Molecular Weight331.39 g/mol
Exact Mass331.20
IUPAC NameN,N-dimethyl-2-(4-propyl-1,4-diazepan-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCN1CCCN(c2nc(N(C)C)cc(C(F)(F)F)n2)CC1
InChIInChI=1S/C15H24F3N5/c1-4-6-22-7-5-8-23(10-9-22)14-19-12(15(16,17)18)11-13(20-14)21(2)3/h11H,4-10H2,1-3H3
InChIKeySIKCMGZVAOOCSR-UHFFFAOYSA-N
XLogP2.48
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-2-[4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide
CID 133418094
2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133274040
5-[1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 133497568
N,N-dimethyl-2-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 133279645
N,N-dimethyl-2-(3-pyrazol-1-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 133275801
(3,4-difluorophenyl)-[4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 78857592
2-[4-(4-fluorophenoxy)piperidin-1-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133316055
2-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133292109
2-[4-(2-fluoroanilino)piperidin-1-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133330758
(3S)-4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-propylpiperazin-2-one
CID 97251621
(3R)-4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-propylpiperazin-2-one
CID 97251620
2-[3-(3,5-dimethoxyanilino)piperidin-1-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133362299

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-propyl-1,4-diazepan-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-2-(4-propyl-1,4-diazepan-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine (CID 133314312) is N,N-dimethyl-2-(4-propyl-1,4-diazepan-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-2-(4-propyl-1,4-diazepan-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-2-(4-propyl-1,4-diazepan-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine is CCCN1CCCN(c2nc(N(C)C)cc(C(F)(F)F)n2)CC1.
What is the InChIKey of N,N-dimethyl-2-(4-propyl-1,4-diazepan-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is SIKCMGZVAOOCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N5/c1-4-6-22-7-5-8-23(10-9-22)14-19-12(15(16,17)18)11-13(20-14)21(2)3/h11H,4-10H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(4-propyl-1,4-diazepan-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine?
N,N-dimethyl-2-(4-propyl-1,4-diazepan-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 331.39 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-propyl-1,4-diazepan-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 133314312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).