N,N-dimethyl-2-[(2S)-2-[(4-methylpiperazin-1-yl)methyl]morpholin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine

C17H27F3N6O — CID 97211279

IUPACN,N-dimethyl-2-[(2S)-2-[(4-methylpiperazin-1-yl)methyl]morpholin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCN1CCN(C[C@H]2CN(c3nc(N(C)C)cc(C(F)(F)F)n3)CCO2)CC1
InChIInChI=1S/C17H27F3N6O/c1-23(2)15-10-14(17(18,19)20)21-16(22-15)26-8-9-27-13(12-26)11-25-6-4-24(3)5-7-25/h10,13H,4-9,11-12H2,1-3H3/t13-/m0/s1
InChIKeyUCHAMGQRNBIFAE-ZDUSSCGKSA-N
MW388.44 g/mol
LogP1.01
Rot. Bonds4

About N,N-dimethyl-2-[(2S)-2-[(4-methylpiperazin-1-yl)methyl]morpholin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine

N,N-dimethyl-2-[(2S)-2-[(4-methylpiperazin-1-yl)methyl]morpholin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 97211279) has the molecular formula C17H27F3N6O and a molecular weight of 388.44 g/mol. Its IUPAC name is N,N-dimethyl-2-[(2S)-2-[(4-methylpiperazin-1-yl)methyl]morpholin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-[(2S)-2-[(4-methylpiperazin-1-yl)methyl]morpholin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID97211279
Molecular FormulaC17H27F3N6O
Molecular Weight388.44 g/mol
Exact Mass388.22
IUPAC NameN,N-dimethyl-2-[(2S)-2-[(4-methylpiperazin-1-yl)methyl]morpholin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCN1CCN(C[C@H]2CN(c3nc(N(C)C)cc(C(F)(F)F)n3)CCO2)CC1
InChIInChI=1S/C17H27F3N6O/c1-23(2)15-10-14(17(18,19)20)21-16(22-15)26-8-9-27-13(12-26)11-25-6-4-24(3)5-7-25/h10,13H,4-9,11-12H2,1-3H3/t13-/m0/s1
InChIKeyUCHAMGQRNBIFAE-ZDUSSCGKSA-N
XLogP1.01
TPSA47.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(2S)-2-[(4-methylpiperazin-1-yl)methyl]morpholin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-2-[(2S)-2-[(4-methylpiperazin-1-yl)methyl]morpholin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 97211279) is N,N-dimethyl-2-[(2S)-2-[(4-methylpiperazin-1-yl)methyl]morpholin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-2-[(2S)-2-[(4-methylpiperazin-1-yl)methyl]morpholin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-2-[(2S)-2-[(4-methylpiperazin-1-yl)methyl]morpholin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is CN1CCN(C[C@H]2CN(c3nc(N(C)C)cc(C(F)(F)F)n3)CCO2)CC1.
What is the InChIKey of N,N-dimethyl-2-[(2S)-2-[(4-methylpiperazin-1-yl)methyl]morpholin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is UCHAMGQRNBIFAE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H27F3N6O/c1-23(2)15-10-14(17(18,19)20)21-16(22-15)26-8-9-27-13(12-26)11-25-6-4-24(3)5-7-25/h10,13H,4-9,11-12H2,1-3H3/t13-/m0/s1.
What are the key properties of N,N-dimethyl-2-[(2S)-2-[(4-methylpiperazin-1-yl)methyl]morpholin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
N,N-dimethyl-2-[(2S)-2-[(4-methylpiperazin-1-yl)methyl]morpholin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 388.44 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(2S)-2-[(4-methylpiperazin-1-yl)methyl]morpholin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 97211279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).