9-methyl-2-propan-2-yl-6-(1,1,1-trifluoropropan-2-ylamino)-3,4-dihydro-1H-pyrazino[1,2-c]pyrimidin-8-one

C14H21F3N4O — CID 145301937

IUPAC9-methyl-2-propan-2-yl-6-(1,1,1-trifluoropropan-2-ylamino)-3,4-dihydro-1H-pyrazino[1,2-c]pyrimidin-8-one
SMILESCc1c2n(c(NC(C)C(F)(F)F)nc1=O)CCN(C(C)C)C2
InChIInChI=1S/C14H21F3N4O/c1-8(2)20-5-6-21-11(7-20)9(3)12(22)19-13(21)18-10(4)14(15,16)17/h8,10H,5-7H2,1-4H3,(H,18,19,22)
InChIKeyOQPDDJWFCLNMDC-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.14
Rot. Bonds3

About 9-methyl-2-propan-2-yl-6-(1,1,1-trifluoropropan-2-ylamino)-3,4-dihydro-1H-pyrazino[1,2-c]pyrimidin-8-one

9-methyl-2-propan-2-yl-6-(1,1,1-trifluoropropan-2-ylamino)-3,4-dihydro-1H-pyrazino[1,2-c]pyrimidin-8-one (PubChem CID 145301937) has the molecular formula C14H21F3N4O and a molecular weight of 318.34 g/mol. Its IUPAC name is 9-methyl-2-propan-2-yl-6-(1,1,1-trifluoropropan-2-ylamino)-3,4-dihydro-1H-pyrazino[1,2-c]pyrimidin-8-one.

Molecular Properties

Compound Name9-methyl-2-propan-2-yl-6-(1,1,1-trifluoropropan-2-ylamino)-3,4-dihydro-1H-pyrazino[1,2-c]pyrimidin-8-one
PubChem CID145301937
Molecular FormulaC14H21F3N4O
Molecular Weight318.34 g/mol
Exact Mass318.17
IUPAC Name9-methyl-2-propan-2-yl-6-(1,1,1-trifluoropropan-2-ylamino)-3,4-dihydro-1H-pyrazino[1,2-c]pyrimidin-8-one
SMILESCc1c2n(c(NC(C)C(F)(F)F)nc1=O)CCN(C(C)C)C2
InChIInChI=1S/C14H21F3N4O/c1-8(2)20-5-6-21-11(7-20)9(3)12(22)19-13(21)18-10(4)14(15,16)17/h8,10H,5-7H2,1-4H3,(H,18,19,22)
InChIKeyOQPDDJWFCLNMDC-UHFFFAOYSA-N
XLogP2.14
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-propan-2-yl-6-(1,1,1-trifluoropropan-2-ylamino)-3,4-dihydro-1H-pyrazino[1,2-c]pyrimidin-8-one?
The IUPAC name of 9-methyl-2-propan-2-yl-6-(1,1,1-trifluoropropan-2-ylamino)-3,4-dihydro-1H-pyrazino[1,2-c]pyrimidin-8-one (CID 145301937) is 9-methyl-2-propan-2-yl-6-(1,1,1-trifluoropropan-2-ylamino)-3,4-dihydro-1H-pyrazino[1,2-c]pyrimidin-8-one.
What is the SMILES notation for 9-methyl-2-propan-2-yl-6-(1,1,1-trifluoropropan-2-ylamino)-3,4-dihydro-1H-pyrazino[1,2-c]pyrimidin-8-one?
The canonical SMILES for 9-methyl-2-propan-2-yl-6-(1,1,1-trifluoropropan-2-ylamino)-3,4-dihydro-1H-pyrazino[1,2-c]pyrimidin-8-one is Cc1c2n(c(NC(C)C(F)(F)F)nc1=O)CCN(C(C)C)C2.
What is the InChIKey of 9-methyl-2-propan-2-yl-6-(1,1,1-trifluoropropan-2-ylamino)-3,4-dihydro-1H-pyrazino[1,2-c]pyrimidin-8-one?
The InChIKey is OQPDDJWFCLNMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4O/c1-8(2)20-5-6-21-11(7-20)9(3)12(22)19-13(21)18-10(4)14(15,16)17/h8,10H,5-7H2,1-4H3,(H,18,19,22).
What are the key properties of 9-methyl-2-propan-2-yl-6-(1,1,1-trifluoropropan-2-ylamino)-3,4-dihydro-1H-pyrazino[1,2-c]pyrimidin-8-one?
9-methyl-2-propan-2-yl-6-(1,1,1-trifluoropropan-2-ylamino)-3,4-dihydro-1H-pyrazino[1,2-c]pyrimidin-8-one has a molecular weight of 318.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-propan-2-yl-6-(1,1,1-trifluoropropan-2-ylamino)-3,4-dihydro-1H-pyrazino[1,2-c]pyrimidin-8-one is sourced from PubChem (CID 145301937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).