2-deuterio-2-[(3R)-3-methylpiperazin-1-yl]-5-(trifluoromethyl)-1H-pyrimidin-4-amine

C10H16F3N5 — CID 175700512

IUPAC2-deuterio-2-[(3R)-3-methylpiperazin-1-yl]-5-(trifluoromethyl)-1H-pyrimidin-4-amine
SMILES[2H]C1(N2CCN[C@H](C)C2)N=C(N)C(C(F)(F)F)=CN1
InChIInChI=1S/C10H16F3N5/c1-6-5-18(3-2-15-6)9-16-4-7(8(14)17-9)10(11,12)13/h4,6,9,15-16H,2-3,5H2,1H3,(H2,14,17)/t6-,9?/m1/s1/i9D
InChIKeyDVJIEQZVJGKOCL-NWPCIOLGSA-N
MW264.27 g/mol
LogP-0.03
Rot. Bonds1

About 2-deuterio-2-[(3R)-3-methylpiperazin-1-yl]-5-(trifluoromethyl)-1H-pyrimidin-4-amine

2-deuterio-2-[(3R)-3-methylpiperazin-1-yl]-5-(trifluoromethyl)-1H-pyrimidin-4-amine (PubChem CID 175700512) has the molecular formula C10H16F3N5 and a molecular weight of 264.27 g/mol. Its IUPAC name is 2-deuterio-2-[(3R)-3-methylpiperazin-1-yl]-5-(trifluoromethyl)-1H-pyrimidin-4-amine.

Molecular Properties

Compound Name2-deuterio-2-[(3R)-3-methylpiperazin-1-yl]-5-(trifluoromethyl)-1H-pyrimidin-4-amine
PubChem CID175700512
Molecular FormulaC10H16F3N5
Molecular Weight264.27 g/mol
Exact Mass264.14
IUPAC Name2-deuterio-2-[(3R)-3-methylpiperazin-1-yl]-5-(trifluoromethyl)-1H-pyrimidin-4-amine
SMILES[2H]C1(N2CCN[C@H](C)C2)N=C(N)C(C(F)(F)F)=CN1
InChIInChI=1S/C10H16F3N5/c1-6-5-18(3-2-15-6)9-16-4-7(8(14)17-9)10(11,12)13/h4,6,9,15-16H,2-3,5H2,1H3,(H2,14,17)/t6-,9?/m1/s1/i9D
InChIKeyDVJIEQZVJGKOCL-NWPCIOLGSA-N
XLogP-0.03
TPSA65.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-deuterio-2-[(3R)-3-methylpiperazin-1-yl]-5-(trifluoromethyl)-1H-pyrimidin-4-amine?
The IUPAC name of 2-deuterio-2-[(3R)-3-methylpiperazin-1-yl]-5-(trifluoromethyl)-1H-pyrimidin-4-amine (CID 175700512) is 2-deuterio-2-[(3R)-3-methylpiperazin-1-yl]-5-(trifluoromethyl)-1H-pyrimidin-4-amine.
What is the SMILES notation for 2-deuterio-2-[(3R)-3-methylpiperazin-1-yl]-5-(trifluoromethyl)-1H-pyrimidin-4-amine?
The canonical SMILES for 2-deuterio-2-[(3R)-3-methylpiperazin-1-yl]-5-(trifluoromethyl)-1H-pyrimidin-4-amine is [2H]C1(N2CCN[C@H](C)C2)N=C(N)C(C(F)(F)F)=CN1.
What is the InChIKey of 2-deuterio-2-[(3R)-3-methylpiperazin-1-yl]-5-(trifluoromethyl)-1H-pyrimidin-4-amine?
The InChIKey is DVJIEQZVJGKOCL-NWPCIOLGSA-N. The full InChI is InChI=1S/C10H16F3N5/c1-6-5-18(3-2-15-6)9-16-4-7(8(14)17-9)10(11,12)13/h4,6,9,15-16H,2-3,5H2,1H3,(H2,14,17)/t6-,9?/m1/s1/i9D.
What are the key properties of 2-deuterio-2-[(3R)-3-methylpiperazin-1-yl]-5-(trifluoromethyl)-1H-pyrimidin-4-amine?
2-deuterio-2-[(3R)-3-methylpiperazin-1-yl]-5-(trifluoromethyl)-1H-pyrimidin-4-amine has a molecular weight of 264.27 g/mol, XLogP of -0.03, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-2-[(3R)-3-methylpiperazin-1-yl]-5-(trifluoromethyl)-1H-pyrimidin-4-amine is sourced from PubChem (CID 175700512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).