1-N,1-N-diethyl-4-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,4-diamine

C14H23F3N4 — CID 60732509

IUPAC1-N,1-N-diethyl-4-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C14H23F3N4/c1-4-21(5-2)10-6-7-11(3)19-13-18-9-8-12(20-13)14(15,16)17/h8-9,11H,4-7,10H2,1-3H3,(H,18,19,20)
InChIKeyDWAQNJZALWFMEI-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.42
Rot. Bonds8

About 1-N,1-N-diethyl-4-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,4-diamine

1-N,1-N-diethyl-4-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,4-diamine (PubChem CID 60732509) has the molecular formula C14H23F3N4 and a molecular weight of 304.36 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,4-diamine
PubChem CID60732509
Molecular FormulaC14H23F3N4
Molecular Weight304.36 g/mol
Exact Mass304.19
IUPAC Name1-N,1-N-diethyl-4-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C14H23F3N4/c1-4-21(5-2)10-6-7-11(3)19-13-18-9-8-12(20-13)14(15,16)17/h8-9,11H,4-7,10H2,1-3H3,(H,18,19,20)
InChIKeyDWAQNJZALWFMEI-UHFFFAOYSA-N
XLogP3.42
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
CID 60732408
N-hept-6-en-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
CID 133436124
1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]guanidine
CID 111771466
(2R)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol
CID 95620017
2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol
CID 56786340
N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
CID 2796113
4-N-[5-(diethylamino)pentan-2-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64831242
N-(1-ethylsulfanylpropan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 115659006
(4R)-1-N,1-N-diethyl-4-N-pyridin-2-ylpentane-1,4-diamine
CID 40545835
N-ethyl-N-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide
CID 103111436
4-methyl-3-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,3-diamine
CID 106357554
(4S)-4-N-(6-bromoquinazolin-2-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 129385047

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,4-diamine?
The IUPAC name of 1-N,1-N-diethyl-4-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,4-diamine (CID 60732509) is 1-N,1-N-diethyl-4-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,4-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-4-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,4-diamine?
The canonical SMILES for 1-N,1-N-diethyl-4-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,4-diamine is CCN(CC)CCCC(C)Nc1nccc(C(F)(F)F)n1.
What is the InChIKey of 1-N,1-N-diethyl-4-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,4-diamine?
The InChIKey is DWAQNJZALWFMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N4/c1-4-21(5-2)10-6-7-11(3)19-13-18-9-8-12(20-13)14(15,16)17/h8-9,11H,4-7,10H2,1-3H3,(H,18,19,20).
What are the key properties of 1-N,1-N-diethyl-4-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,4-diamine?
1-N,1-N-diethyl-4-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,4-diamine has a molecular weight of 304.36 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-4-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,4-diamine is sourced from PubChem (CID 60732509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).