4-N-(1-cyclopropylbutan-2-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

C14H21F3N4 — CID 114565160

IUPAC4-N-(1-cyclopropylbutan-2-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCNc1nc(NC(CC)CC2CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C14H21F3N4/c1-3-10(7-9-5-6-9)19-12-8-11(14(15,16)17)20-13(21-12)18-4-2/h8-10H,3-7H2,1-2H3,(H2,18,19,20,21)
InChIKeyOBNKDMPSCBLPBW-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.92
Rot. Bonds7

About 4-N-(1-cyclopropylbutan-2-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-(1-cyclopropylbutan-2-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 114565160) has the molecular formula C14H21F3N4 and a molecular weight of 302.34 g/mol. Its IUPAC name is 4-N-(1-cyclopropylbutan-2-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1-cyclopropylbutan-2-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID114565160
Molecular FormulaC14H21F3N4
Molecular Weight302.34 g/mol
Exact Mass302.17
IUPAC Name4-N-(1-cyclopropylbutan-2-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCNc1nc(NC(CC)CC2CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C14H21F3N4/c1-3-10(7-9-5-6-9)19-12-8-11(14(15,16)17)20-13(21-12)18-4-2/h8-10H,3-7H2,1-2H3,(H2,18,19,20,21)
InChIKeyOBNKDMPSCBLPBW-UHFFFAOYSA-N
XLogP3.92
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol
CID 114565912
2-N-methyl-4-N-pentan-3-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563840
2-N-ethyl-4-N-(1-methoxypentan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565215
6-N-(1-cyclopropylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718593
2-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565904
4-N-cyclopentyl-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563838
2-N,4-N-bis(cyclopropylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 133334171
4-N-(1-ethoxypropan-2-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564720
2-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565253
3-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-2-ol
CID 114565964
N-ethyl-2-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
CID 114564470
2-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 114564872

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-cyclopropylbutan-2-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1-cyclopropylbutan-2-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 114565160) is 4-N-(1-cyclopropylbutan-2-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1-cyclopropylbutan-2-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1-cyclopropylbutan-2-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is CCNc1nc(NC(CC)CC2CC2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-N-(1-cyclopropylbutan-2-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is OBNKDMPSCBLPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4/c1-3-10(7-9-5-6-9)19-12-8-11(14(15,16)17)20-13(21-12)18-4-2/h8-10H,3-7H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 4-N-(1-cyclopropylbutan-2-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-(1-cyclopropylbutan-2-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 302.34 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-cyclopropylbutan-2-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114565160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).