6-methyl-5-propan-2-yl-N-propyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine

C14H22F3N3 — CID 79964589

IUPAC6-methyl-5-propan-2-yl-N-propyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
SMILESCCCNc1nc(CCC(F)(F)F)nc(C)c1C(C)C
InChIInChI=1S/C14H22F3N3/c1-5-8-18-13-12(9(2)3)10(4)19-11(20-13)6-7-14(15,16)17/h9H,5-8H2,1-4H3,(H,18,19,20)
InChIKeyCMGZLBQPRJQHKU-UHFFFAOYSA-N
MW289.35 g/mol
LogP4.23
Rot. Bonds6

About 6-methyl-5-propan-2-yl-N-propyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine

6-methyl-5-propan-2-yl-N-propyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine (PubChem CID 79964589) has the molecular formula C14H22F3N3 and a molecular weight of 289.35 g/mol. Its IUPAC name is 6-methyl-5-propan-2-yl-N-propyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-5-propan-2-yl-N-propyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
PubChem CID79964589
Molecular FormulaC14H22F3N3
Molecular Weight289.35 g/mol
Exact Mass289.18
IUPAC Name6-methyl-5-propan-2-yl-N-propyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
SMILESCCCNc1nc(CCC(F)(F)F)nc(C)c1C(C)C
InChIInChI=1S/C14H22F3N3/c1-5-8-18-13-12(9(2)3)10(4)19-11(20-13)6-7-14(15,16)17/h9H,5-8H2,1-4H3,(H,18,19,20)
InChIKeyCMGZLBQPRJQHKU-UHFFFAOYSA-N
XLogP4.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-propan-2-yl-N-propyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The IUPAC name of 6-methyl-5-propan-2-yl-N-propyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine (CID 79964589) is 6-methyl-5-propan-2-yl-N-propyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-5-propan-2-yl-N-propyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The canonical SMILES for 6-methyl-5-propan-2-yl-N-propyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine is CCCNc1nc(CCC(F)(F)F)nc(C)c1C(C)C.
What is the InChIKey of 6-methyl-5-propan-2-yl-N-propyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The InChIKey is CMGZLBQPRJQHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3/c1-5-8-18-13-12(9(2)3)10(4)19-11(20-13)6-7-14(15,16)17/h9H,5-8H2,1-4H3,(H,18,19,20).
What are the key properties of 6-methyl-5-propan-2-yl-N-propyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
6-methyl-5-propan-2-yl-N-propyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine has a molecular weight of 289.35 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-propan-2-yl-N-propyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine is sourced from PubChem (CID 79964589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).