4-N-(cyclopropylmethyl)-4-N,6-N-diethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine

C13H19F3N4 — CID 106772085

IUPAC4-N-(cyclopropylmethyl)-4-N,6-N-diethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(N(CC)CC2CC2)nc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4/c1-3-17-10-7-11(19-12(18-10)13(14,15)16)20(4-2)8-9-5-6-9/h7,9H,3-6,8H2,1-2H3,(H,17,18,19)
InChIKeyBGERBGSVGXTGCI-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.16
Rot. Bonds6

About 4-N-(cyclopropylmethyl)-4-N,6-N-diethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine

4-N-(cyclopropylmethyl)-4-N,6-N-diethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106772085) has the molecular formula C13H19F3N4 and a molecular weight of 288.32 g/mol. Its IUPAC name is 4-N-(cyclopropylmethyl)-4-N,6-N-diethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(cyclopropylmethyl)-4-N,6-N-diethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106772085
Molecular FormulaC13H19F3N4
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC Name4-N-(cyclopropylmethyl)-4-N,6-N-diethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(N(CC)CC2CC2)nc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4/c1-3-17-10-7-11(19-12(18-10)13(14,15)16)20(4-2)8-9-5-6-9/h7,9H,3-6,8H2,1-2H3,(H,17,18,19)
InChIKeyBGERBGSVGXTGCI-UHFFFAOYSA-N
XLogP3.16
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Adriforant
CID 24745335
N4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine
CID 17773877
N4-Methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 25129179
(R)-N4-isobutyl-6-(3-(methylamino)pyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 24745337
(R)-N2-isobutyl-6-(3-(methylamino)pyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 54581940
4-N-methyl-6-pyrrolidin-1-ylpyrimidine-2,4-diamine
CID 21749035
6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-propan-2-ylpyrimidin-4-amine
CID 44126357
6-(azepan-1-yl)-N,2-dicyclopropylpyrimidin-4-amine
CID 44409745
N2-isobutyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 53233801
n4-Isobutyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 54585781
4-N-(cyclopropylmethyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine
CID 57399829
4-N,4-N,6-N-trimethylpyrimidine-2,4,6-triamine
CID 79006691

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclopropylmethyl)-4-N,6-N-diethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(cyclopropylmethyl)-4-N,6-N-diethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106772085) is 4-N-(cyclopropylmethyl)-4-N,6-N-diethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(cyclopropylmethyl)-4-N,6-N-diethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(cyclopropylmethyl)-4-N,6-N-diethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine is CCNc1cc(N(CC)CC2CC2)nc(C(F)(F)F)n1.
What is the InChIKey of 4-N-(cyclopropylmethyl)-4-N,6-N-diethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is BGERBGSVGXTGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4/c1-3-17-10-7-11(19-12(18-10)13(14,15)16)20(4-2)8-9-5-6-9/h7,9H,3-6,8H2,1-2H3,(H,17,18,19).
What are the key properties of 4-N-(cyclopropylmethyl)-4-N,6-N-diethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
4-N-(cyclopropylmethyl)-4-N,6-N-diethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 288.32 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclopropylmethyl)-4-N,6-N-diethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106772085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).