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

C14H21F3N4 — CID 107403023

IUPAC4-N-(cyclobutylmethyl)-2-N,4-N-diethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCNc1nc(N(CC)CC2CCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C14H21F3N4/c1-3-18-13-19-11(14(15,16)17)8-12(20-13)21(4-2)9-10-6-5-7-10/h8,10H,3-7,9H2,1-2H3,(H,18,19,20)
InChIKeyNNLUVSMZIVCZSB-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.55
Rot. Bonds6

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

4-N-(cyclobutylmethyl)-2-N,4-N-diethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 107403023) has the molecular formula C14H21F3N4 and a molecular weight of 302.34 g/mol. Its IUPAC name is 4-N-(cyclobutylmethyl)-2-N,4-N-diethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(cyclobutylmethyl)-2-N,4-N-diethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID107403023
Molecular FormulaC14H21F3N4
Molecular Weight302.34 g/mol
Exact Mass302.17
IUPAC Name4-N-(cyclobutylmethyl)-2-N,4-N-diethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCNc1nc(N(CC)CC2CCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C14H21F3N4/c1-3-18-13-19-11(14(15,16)17)8-12(20-13)21(4-2)9-10-6-5-7-10/h8,10H,3-7,9H2,1-2H3,(H,18,19,20)
InChIKeyNNLUVSMZIVCZSB-UHFFFAOYSA-N
XLogP3.55
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclobutylmethyl)-2-N,4-N-diethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(cyclobutylmethyl)-2-N,4-N-diethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 107403023) is 4-N-(cyclobutylmethyl)-2-N,4-N-diethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(cyclobutylmethyl)-2-N,4-N-diethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(cyclobutylmethyl)-2-N,4-N-diethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is CCNc1nc(N(CC)CC2CCC2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-N-(cyclobutylmethyl)-2-N,4-N-diethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is NNLUVSMZIVCZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4/c1-3-18-13-19-11(14(15,16)17)8-12(20-13)21(4-2)9-10-6-5-7-10/h8,10H,3-7,9H2,1-2H3,(H,18,19,20).
What are the key properties of 4-N-(cyclobutylmethyl)-2-N,4-N-diethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-(cyclobutylmethyl)-2-N,4-N-diethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 302.34 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclobutylmethyl)-2-N,4-N-diethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 107403023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).