6-propan-2-yloxy-4-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]pyrimidine-2,4-diamine

C14H20N6O — CID 95128741

IUPAC6-propan-2-yloxy-4-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]pyrimidine-2,4-diamine
SMILESCC(C)Oc1cc(N[C@@H](C)Cc2cnccn2)nc(N)n1
InChIInChI=1S/C14H20N6O/c1-9(2)21-13-7-12(19-14(15)20-13)18-10(3)6-11-8-16-4-5-17-11/h4-5,7-10H,6H2,1-3H3,(H3,15,18,19,20)/t10-/m0/s1
InChIKeyBXKPVJVQESKZCH-JTQLQIEISA-N
MW288.36 g/mol
LogP1.68
Rot. Bonds6

About 6-propan-2-yloxy-4-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]pyrimidine-2,4-diamine

6-propan-2-yloxy-4-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]pyrimidine-2,4-diamine (PubChem CID 95128741) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 6-propan-2-yloxy-4-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-propan-2-yloxy-4-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]pyrimidine-2,4-diamine
PubChem CID95128741
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name6-propan-2-yloxy-4-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]pyrimidine-2,4-diamine
SMILESCC(C)Oc1cc(N[C@@H](C)Cc2cnccn2)nc(N)n1
InChIInChI=1S/C14H20N6O/c1-9(2)21-13-7-12(19-14(15)20-13)18-10(3)6-11-8-16-4-5-17-11/h4-5,7-10H,6H2,1-3H3,(H3,15,18,19,20)/t10-/m0/s1
InChIKeyBXKPVJVQESKZCH-JTQLQIEISA-N
XLogP1.68
TPSA98.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yloxy-4-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]pyrimidine-2,4-diamine?
The IUPAC name of 6-propan-2-yloxy-4-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]pyrimidine-2,4-diamine (CID 95128741) is 6-propan-2-yloxy-4-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-propan-2-yloxy-4-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-propan-2-yloxy-4-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]pyrimidine-2,4-diamine is CC(C)Oc1cc(N[C@@H](C)Cc2cnccn2)nc(N)n1.
What is the InChIKey of 6-propan-2-yloxy-4-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]pyrimidine-2,4-diamine?
The InChIKey is BXKPVJVQESKZCH-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20N6O/c1-9(2)21-13-7-12(19-14(15)20-13)18-10(3)6-11-8-16-4-5-17-11/h4-5,7-10H,6H2,1-3H3,(H3,15,18,19,20)/t10-/m0/s1.
What are the key properties of 6-propan-2-yloxy-4-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]pyrimidine-2,4-diamine?
6-propan-2-yloxy-4-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]pyrimidine-2,4-diamine has a molecular weight of 288.36 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yloxy-4-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 95128741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).