4-[(2S)-1,1,1-trifluoropropan-2-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine

C10H13F3N4 — CID 140626446

IUPAC4-[(2S)-1,1,1-trifluoropropan-2-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
SMILESC[C@@H](c1nc(N)nc2c1CCNC2)C(F)(F)F
InChIInChI=1S/C10H13F3N4/c1-5(10(11,12)13)8-6-2-3-15-4-7(6)16-9(14)17-8/h5,15H,2-4H2,1H3,(H2,14,16,17)/t5-/m0/s1
InChIKeyZIDMWHHUZMHIPX-YFKPBYRVSA-N
MW246.24 g/mol
LogP1.37
Rot. Bonds1

About 4-[(2S)-1,1,1-trifluoropropan-2-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine

4-[(2S)-1,1,1-trifluoropropan-2-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine (PubChem CID 140626446) has the molecular formula C10H13F3N4 and a molecular weight of 246.24 g/mol. Its IUPAC name is 4-[(2S)-1,1,1-trifluoropropan-2-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(2S)-1,1,1-trifluoropropan-2-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
PubChem CID140626446
Molecular FormulaC10H13F3N4
Molecular Weight246.24 g/mol
Exact Mass246.11
IUPAC Name4-[(2S)-1,1,1-trifluoropropan-2-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
SMILESC[C@@H](c1nc(N)nc2c1CCNC2)C(F)(F)F
InChIInChI=1S/C10H13F3N4/c1-5(10(11,12)13)8-6-2-3-15-4-7(6)16-9(14)17-8/h5,15H,2-4H2,1H3,(H2,14,16,17)/t5-/m0/s1
InChIKeyZIDMWHHUZMHIPX-YFKPBYRVSA-N
XLogP1.37
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1,1,1-trifluoropropan-2-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The IUPAC name of 4-[(2S)-1,1,1-trifluoropropan-2-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine (CID 140626446) is 4-[(2S)-1,1,1-trifluoropropan-2-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for 4-[(2S)-1,1,1-trifluoropropan-2-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The canonical SMILES for 4-[(2S)-1,1,1-trifluoropropan-2-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine is C[C@@H](c1nc(N)nc2c1CCNC2)C(F)(F)F.
What is the InChIKey of 4-[(2S)-1,1,1-trifluoropropan-2-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is ZIDMWHHUZMHIPX-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H13F3N4/c1-5(10(11,12)13)8-6-2-3-15-4-7(6)16-9(14)17-8/h5,15H,2-4H2,1H3,(H2,14,16,17)/t5-/m0/s1.
What are the key properties of 4-[(2S)-1,1,1-trifluoropropan-2-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
4-[(2S)-1,1,1-trifluoropropan-2-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 246.24 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1,1,1-trifluoropropan-2-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 140626446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).