3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butanamide

C12H18F3N5O — CID 114565928

IUPAC3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butanamide
SMILESCCCNc1nc(NC(C)CC(N)=O)cc(C(F)(F)F)n1
InChIInChI=1S/C12H18F3N5O/c1-3-4-17-11-19-8(12(13,14)15)6-10(20-11)18-7(2)5-9(16)21/h6-7H,3-5H2,1-2H3,(H2,16,21)(H2,17,18,19,20)
InChIKeyUUFKCCBWODVKNQ-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.99
Rot. Bonds7

About 3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butanamide

3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butanamide (PubChem CID 114565928) has the molecular formula C12H18F3N5O and a molecular weight of 305.30 g/mol. Its IUPAC name is 3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butanamide.

Molecular Properties

Compound Name3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butanamide
PubChem CID114565928
Molecular FormulaC12H18F3N5O
Molecular Weight305.30 g/mol
Exact Mass305.15
IUPAC Name3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butanamide
SMILESCCCNc1nc(NC(C)CC(N)=O)cc(C(F)(F)F)n1
InChIInChI=1S/C12H18F3N5O/c1-3-4-17-11-19-8(12(13,14)15)6-10(20-11)18-7(2)5-9(16)21/h6-7H,3-5H2,1-2H3,(H2,16,21)(H2,17,18,19,20)
InChIKeyUUFKCCBWODVKNQ-UHFFFAOYSA-N
XLogP1.99
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-N,4-N-di(propan-2-yl)pyrimidine-2,4-diamine
CID 46225978
2-Amino-4-n-butylamino-6-methylpyrimidine
CID 57279993
Urea, N-(2,6-dimethyl-4-pyrimidinyl)-N'-ethyl-
CID 3061666
Urea, N-(2,6-dimethyl-4-pyrimidinyl)-N'-(1-methylethyl)-
CID 3061667
(4S)-4-amino-1-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-N-ethyl-L-prolinamide
CID 70757415
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidin-2-amine
CID 90655031
N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}cyclobutanecarboxamide
CID 91892424
Pyrimidine, 4-sec-butylamino-2,6-dimethyl-
CID 21059232
1-(4-(4-(Ethylamino)-6-methylpyrimidin-2-yl)piperazin-1-yl)butan-1-one
CID 18566444
2,4-Bis-(n-butylamino)-6-methylpyrimidine
CID 112908077
2,2-dimethyl-N-{2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}propanamide
CID 71796939
N-{[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl}-2-ethylbutanamide
CID 72718149

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butanamide?
The IUPAC name of 3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butanamide (CID 114565928) is 3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butanamide.
What is the SMILES notation for 3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butanamide?
The canonical SMILES for 3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butanamide is CCCNc1nc(NC(C)CC(N)=O)cc(C(F)(F)F)n1.
What is the InChIKey of 3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butanamide?
The InChIKey is UUFKCCBWODVKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5O/c1-3-4-17-11-19-8(12(13,14)15)6-10(20-11)18-7(2)5-9(16)21/h6-7H,3-5H2,1-2H3,(H2,16,21)(H2,17,18,19,20).
What are the key properties of 3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butanamide?
3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butanamide has a molecular weight of 305.30 g/mol, XLogP of 1.99, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butanamide is sourced from PubChem (CID 114565928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).