N-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

C11H17F3N4 — CID 114216052

IUPACN-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCCNCc1cncnc1N(C)CC(F)(F)F
InChIInChI=1S/C11H17F3N4/c1-3-4-15-5-9-6-16-8-17-10(9)18(2)7-11(12,13)14/h6,8,15H,3-5,7H2,1-2H3
InChIKeyBNRZUXTWULQJKC-UHFFFAOYSA-N
MW262.28 g/mol
LogP1.97
Rot. Bonds6

About N-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

N-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 114216052) has the molecular formula C11H17F3N4 and a molecular weight of 262.28 g/mol. Its IUPAC name is N-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID114216052
Molecular FormulaC11H17F3N4
Molecular Weight262.28 g/mol
Exact Mass262.14
IUPAC NameN-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCCNCc1cncnc1N(C)CC(F)(F)F
InChIInChI=1S/C11H17F3N4/c1-3-4-15-5-9-6-16-8-17-10(9)18(2)7-11(12,13)14/h6,8,15H,3-5,7H2,1-2H3
InChIKeyBNRZUXTWULQJKC-UHFFFAOYSA-N
XLogP1.97
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-propan-2-yl-5-(propylaminomethyl)pyrimidin-4-amine
CID 114215953
N-(cyclopropylmethyl)-N-ethyl-5-(propylaminomethyl)pyrimidin-4-amine
CID 114216358
N-[[4-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]propan-1-amine
CID 82957136
5-(ethylaminomethyl)-N-methyl-N-pentan-2-ylpyrimidin-4-amine
CID 114216039
5-(ethylaminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 114216442
3-fluoro-N-propan-2-yl-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 105389253
N-ethyl-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 62280397
N-methyl-3-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 62282278
N-[[2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]phenyl]methyl]propan-1-amine
CID 62426739
N-cyclopropyl-5-fluoro-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 114035229
N-methyl-3-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-4-amine
CID 81246573
N-methyl-4-propan-2-yl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 79395623

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of N-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 114216052) is N-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is CCCNCc1cncnc1N(C)CC(F)(F)F.
What is the InChIKey of N-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is BNRZUXTWULQJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4/c1-3-4-15-5-9-6-16-8-17-10(9)18(2)7-11(12,13)14/h6,8,15H,3-5,7H2,1-2H3.
What are the key properties of N-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
N-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 262.28 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 114216052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).