N-cyclopropyl-N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine

C20H23F3N6 — CID 171997652

IUPACN-cyclopropyl-N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cc(N2CCC(N(c3nccc(C(F)(F)F)n3)C3CC3)C2)nc(C2CC2)n1
InChIInChI=1S/C20H23F3N6/c1-12-10-17(27-18(25-12)13-2-3-13)28-9-7-15(11-28)29(14-4-5-14)19-24-8-6-16(26-19)20(21,22)23/h6,8,10,13-15H,2-5,7,9,11H2,1H3
InChIKeyRPAXRHVJDRAXLR-UHFFFAOYSA-N
MW404.44 g/mol
LogP3.72
Rot. Bonds5

About N-cyclopropyl-N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine

N-cyclopropyl-N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 171997652) has the molecular formula C20H23F3N6 and a molecular weight of 404.44 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID171997652
Molecular FormulaC20H23F3N6
Molecular Weight404.44 g/mol
Exact Mass404.19
IUPAC NameN-cyclopropyl-N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cc(N2CCC(N(c3nccc(C(F)(F)F)n3)C3CC3)C2)nc(C2CC2)n1
InChIInChI=1S/C20H23F3N6/c1-12-10-17(27-18(25-12)13-2-3-13)28-9-7-15(11-28)29(14-4-5-14)19-24-8-6-16(26-19)20(21,22)23/h6,8,10,13-15H,2-5,7,9,11H2,1H3
InChIKeyRPAXRHVJDRAXLR-UHFFFAOYSA-N
XLogP3.72
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-cyclopropyl-N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 171997652) is N-cyclopropyl-N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-cyclopropyl-N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-cyclopropyl-N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine is Cc1cc(N2CCC(N(c3nccc(C(F)(F)F)n3)C3CC3)C2)nc(C2CC2)n1.
What is the InChIKey of N-cyclopropyl-N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is RPAXRHVJDRAXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N6/c1-12-10-17(27-18(25-12)13-2-3-13)28-9-7-15(11-28)29(14-4-5-14)19-24-8-6-16(26-19)20(21,22)23/h6,8,10,13-15H,2-5,7,9,11H2,1H3.
What are the key properties of N-cyclopropyl-N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-cyclopropyl-N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 404.44 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 171997652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).