N-cyclopropyl-5-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyrazin-2-amine

C14H21F3N4 — CID 107379370

IUPACN-cyclopropyl-5-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyrazin-2-amine
SMILESCC(C)CNCc1cnc(N(CC(F)(F)F)C2CC2)cn1
InChIInChI=1S/C14H21F3N4/c1-10(2)5-18-6-11-7-20-13(8-19-11)21(12-3-4-12)9-14(15,16)17/h7-8,10,12,18H,3-6,9H2,1-2H3
InChIKeyNRMUUHOPGNRCSA-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.75
Rot. Bonds7

About N-cyclopropyl-5-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyrazin-2-amine

N-cyclopropyl-5-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyrazin-2-amine (PubChem CID 107379370) has the molecular formula C14H21F3N4 and a molecular weight of 302.34 g/mol. Its IUPAC name is N-cyclopropyl-5-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyrazin-2-amine
PubChem CID107379370
Molecular FormulaC14H21F3N4
Molecular Weight302.34 g/mol
Exact Mass302.17
IUPAC NameN-cyclopropyl-5-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyrazin-2-amine
SMILESCC(C)CNCc1cnc(N(CC(F)(F)F)C2CC2)cn1
InChIInChI=1S/C14H21F3N4/c1-10(2)5-18-6-11-7-20-13(8-19-11)21(12-3-4-12)9-14(15,16)17/h7-8,10,12,18H,3-6,9H2,1-2H3
InChIKeyNRMUUHOPGNRCSA-UHFFFAOYSA-N
XLogP2.75
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 62282660
[5-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyrazin-2-yl]methanol
CID 107372801
N,N-dimethyl-5-[(2-methylpropylamino)methyl]pyrazin-2-amine
CID 107378992
N-(cyclohexylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyrazin-2-amine
CID 107379872
N-cyclopentyl-5-(methylaminomethyl)-N-(2-methylpropyl)pyrazin-2-amine
CID 107380576
N-cyclopropyl-N-(2-methylpropyl)-6-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62294577
N-methyl-5-[(2-methylpropylamino)methyl]-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazin-2-amine
CID 107380202
N-cyclopropyl-5-(ethylaminomethyl)-N-prop-2-enylpyrazin-2-amine
CID 107380684
N-cyclopropyl-6-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
CID 62284048
N-cyclopropyl-N-(cyclopropylmethyl)-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 64522855
N-cyclopropyl-N-ethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine
CID 113388029
5-chloro-N-cyclopropyl-N-ethyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 114925446

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyrazin-2-amine?
The IUPAC name of N-cyclopropyl-5-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyrazin-2-amine (CID 107379370) is N-cyclopropyl-5-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyrazin-2-amine.
What is the SMILES notation for N-cyclopropyl-5-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyrazin-2-amine?
The canonical SMILES for N-cyclopropyl-5-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyrazin-2-amine is CC(C)CNCc1cnc(N(CC(F)(F)F)C2CC2)cn1.
What is the InChIKey of N-cyclopropyl-5-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyrazin-2-amine?
The InChIKey is NRMUUHOPGNRCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4/c1-10(2)5-18-6-11-7-20-13(8-19-11)21(12-3-4-12)9-14(15,16)17/h7-8,10,12,18H,3-6,9H2,1-2H3.
What are the key properties of N-cyclopropyl-5-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyrazin-2-amine?
N-cyclopropyl-5-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyrazin-2-amine has a molecular weight of 302.34 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyrazin-2-amine is sourced from PubChem (CID 107379370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).