4-N,4-N,5-trimethyl-2-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidine-2,4-diamine

C14H20N6 — CID 50951856

IUPAC4-N,4-N,5-trimethyl-2-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidine-2,4-diamine
SMILESCc1cnc(NC(C)Cc2cnccn2)nc1N(C)C
InChIInChI=1S/C14H20N6/c1-10-8-17-14(19-13(10)20(3)4)18-11(2)7-12-9-15-5-6-16-12/h5-6,8-9,11H,7H2,1-4H3,(H,17,18,19)
InChIKeyKLSSNKNWCWQOQE-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.68
Rot. Bonds5

About 4-N,4-N,5-trimethyl-2-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidine-2,4-diamine

4-N,4-N,5-trimethyl-2-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidine-2,4-diamine (PubChem CID 50951856) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 4-N,4-N,5-trimethyl-2-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N,5-trimethyl-2-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidine-2,4-diamine
PubChem CID50951856
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name4-N,4-N,5-trimethyl-2-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidine-2,4-diamine
SMILESCc1cnc(NC(C)Cc2cnccn2)nc1N(C)C
InChIInChI=1S/C14H20N6/c1-10-8-17-14(19-13(10)20(3)4)18-11(2)7-12-9-15-5-6-16-12/h5-6,8-9,11H,7H2,1-4H3,(H,17,18,19)
InChIKeyKLSSNKNWCWQOQE-UHFFFAOYSA-N
XLogP1.68
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N,5-trimethyl-2-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N,4-N,5-trimethyl-2-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidine-2,4-diamine (CID 50951856) is 4-N,4-N,5-trimethyl-2-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,4-N,5-trimethyl-2-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,4-N,5-trimethyl-2-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidine-2,4-diamine is Cc1cnc(NC(C)Cc2cnccn2)nc1N(C)C.
What is the InChIKey of 4-N,4-N,5-trimethyl-2-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidine-2,4-diamine?
The InChIKey is KLSSNKNWCWQOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-10-8-17-14(19-13(10)20(3)4)18-11(2)7-12-9-15-5-6-16-12/h5-6,8-9,11H,7H2,1-4H3,(H,17,18,19).
What are the key properties of 4-N,4-N,5-trimethyl-2-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidine-2,4-diamine?
4-N,4-N,5-trimethyl-2-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidine-2,4-diamine has a molecular weight of 272.36 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N,5-trimethyl-2-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 50951856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).