4-N-methyl-5-propan-2-yl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine

C11H17F3N4 — CID 80847885

IUPAC4-N-methyl-5-propan-2-yl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
SMILESCC(C)c1c(N)ncnc1N(C)CCC(F)(F)F
InChIInChI=1S/C11H17F3N4/c1-7(2)8-9(15)16-6-17-10(8)18(3)5-4-11(12,13)14/h6-7H,4-5H2,1-3H3,(H2,15,16,17)
InChIKeyKOEPKSWPZGEBNZ-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.57
Rot. Bonds4

About 4-N-methyl-5-propan-2-yl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine

4-N-methyl-5-propan-2-yl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine (PubChem CID 80847885) has the molecular formula C11H17F3N4 and a molecular weight of 262.28 g/mol. Its IUPAC name is 4-N-methyl-5-propan-2-yl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-methyl-5-propan-2-yl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
PubChem CID80847885
Molecular FormulaC11H17F3N4
Molecular Weight262.28 g/mol
Exact Mass262.14
IUPAC Name4-N-methyl-5-propan-2-yl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
SMILESCC(C)c1c(N)ncnc1N(C)CCC(F)(F)F
InChIInChI=1S/C11H17F3N4/c1-7(2)8-9(15)16-6-17-10(8)18(3)5-4-11(12,13)14/h6-7H,4-5H2,1-3H3,(H2,15,16,17)
InChIKeyKOEPKSWPZGEBNZ-UHFFFAOYSA-N
XLogP2.57
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-methyl-5-propan-2-yl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine with MolForge

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Related Compounds

4-N-methyl-4-N-(3-methylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80796579
5-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80847664
3-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]propanenitrile
CID 80753994
5-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine
CID 82958852
4-N,4-N-diethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80767161
5-propan-2-yl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 82795274
2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 104557069
4-N-[2-(dimethylamino)ethyl]-5-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
CID 80816434
3-[[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80856418
2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-ethylamino]ethanol
CID 80791912
4-N-(furan-3-ylmethyl)-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80796546
4-N-[(4-methoxyphenyl)methyl]-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80777408

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-5-propan-2-yl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-methyl-5-propan-2-yl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine (CID 80847885) is 4-N-methyl-5-propan-2-yl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-methyl-5-propan-2-yl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-methyl-5-propan-2-yl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine is CC(C)c1c(N)ncnc1N(C)CCC(F)(F)F.
What is the InChIKey of 4-N-methyl-5-propan-2-yl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine?
The InChIKey is KOEPKSWPZGEBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4/c1-7(2)8-9(15)16-6-17-10(8)18(3)5-4-11(12,13)14/h6-7H,4-5H2,1-3H3,(H2,15,16,17).
What are the key properties of 4-N-methyl-5-propan-2-yl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine?
4-N-methyl-5-propan-2-yl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine has a molecular weight of 262.28 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-5-propan-2-yl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80847885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).