4-N-methyl-4-N-(1-methylpiperidin-4-yl)-2-N-phenyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

C18H22F3N5 — CID 67210207

IUPAC4-N-methyl-4-N-(1-methylpiperidin-4-yl)-2-N-phenyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCN1CCC(N(C)c2nc(Nc3ccccc3)ncc2C(F)(F)F)CC1
InChIInChI=1S/C18H22F3N5/c1-25-10-8-14(9-11-25)26(2)16-15(18(19,20)21)12-22-17(24-16)23-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,22,23,24)
InChIKeyLNAPHYYUYRTCKZ-UHFFFAOYSA-N
MW365.40 g/mol
LogP3.77
Rot. Bonds4

About 4-N-methyl-4-N-(1-methylpiperidin-4-yl)-2-N-phenyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-methyl-4-N-(1-methylpiperidin-4-yl)-2-N-phenyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 67210207) has the molecular formula C18H22F3N5 and a molecular weight of 365.40 g/mol. Its IUPAC name is 4-N-methyl-4-N-(1-methylpiperidin-4-yl)-2-N-phenyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(1-methylpiperidin-4-yl)-2-N-phenyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID67210207
Molecular FormulaC18H22F3N5
Molecular Weight365.40 g/mol
Exact Mass365.18
IUPAC Name4-N-methyl-4-N-(1-methylpiperidin-4-yl)-2-N-phenyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCN1CCC(N(C)c2nc(Nc3ccccc3)ncc2C(F)(F)F)CC1
InChIInChI=1S/C18H22F3N5/c1-25-10-8-14(9-11-25)26(2)16-15(18(19,20)21)12-22-17(24-16)23-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,22,23,24)
InChIKeyLNAPHYYUYRTCKZ-UHFFFAOYSA-N
XLogP3.77
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(1-methylpiperidin-4-yl)-2-N-phenyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(1-methylpiperidin-4-yl)-2-N-phenyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 67210207) is 4-N-methyl-4-N-(1-methylpiperidin-4-yl)-2-N-phenyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(1-methylpiperidin-4-yl)-2-N-phenyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(1-methylpiperidin-4-yl)-2-N-phenyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is CN1CCC(N(C)c2nc(Nc3ccccc3)ncc2C(F)(F)F)CC1.
What is the InChIKey of 4-N-methyl-4-N-(1-methylpiperidin-4-yl)-2-N-phenyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is LNAPHYYUYRTCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N5/c1-25-10-8-14(9-11-25)26(2)16-15(18(19,20)21)12-22-17(24-16)23-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,22,23,24).
What are the key properties of 4-N-methyl-4-N-(1-methylpiperidin-4-yl)-2-N-phenyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-methyl-4-N-(1-methylpiperidin-4-yl)-2-N-phenyl-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 365.40 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(1-methylpiperidin-4-yl)-2-N-phenyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 67210207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).