4-methyl-6-[4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-amine

C16H20F3N7 — CID 56872191

IUPAC4-methyl-6-[4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-amine
SMILESCc1cc(N2CCN(c3nccc(CCC(F)(F)F)n3)CC2)nc(N)n1
InChIInChI=1S/C16H20F3N7/c1-11-10-13(24-14(20)22-11)25-6-8-26(9-7-25)15-21-5-3-12(23-15)2-4-16(17,18)19/h3,5,10H,2,4,6-9H2,1H3,(H2,20,22,24)
InChIKeyMUYCKXGFXYJILH-UHFFFAOYSA-N
MW367.38 g/mol
LogP1.98
Rot. Bonds4

About 4-methyl-6-[4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-amine

4-methyl-6-[4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-amine (PubChem CID 56872191) has the molecular formula C16H20F3N7 and a molecular weight of 367.38 g/mol. Its IUPAC name is 4-methyl-6-[4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-amine
PubChem CID56872191
Molecular FormulaC16H20F3N7
Molecular Weight367.38 g/mol
Exact Mass367.17
IUPAC Name4-methyl-6-[4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-amine
SMILESCc1cc(N2CCN(c3nccc(CCC(F)(F)F)n3)CC2)nc(N)n1
InChIInChI=1S/C16H20F3N7/c1-11-10-13(24-14(20)22-11)25-6-8-26(9-7-25)15-21-5-3-12(23-15)2-4-16(17,18)19/h3,5,10H,2,4,6-9H2,1H3,(H2,20,22,24)
InChIKeyMUYCKXGFXYJILH-UHFFFAOYSA-N
XLogP1.98
TPSA84.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-[4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-amine (CID 56872191) is 4-methyl-6-[4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-[4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-[4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-amine is Cc1cc(N2CCN(c3nccc(CCC(F)(F)F)n3)CC2)nc(N)n1.
What is the InChIKey of 4-methyl-6-[4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is MUYCKXGFXYJILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N7/c1-11-10-13(24-14(20)22-11)25-6-8-26(9-7-25)15-21-5-3-12(23-15)2-4-16(17,18)19/h3,5,10H,2,4,6-9H2,1H3,(H2,20,22,24).
What are the key properties of 4-methyl-6-[4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-amine?
4-methyl-6-[4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 367.38 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 56872191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).