5-(1-pyrimidin-5-ylethyl)pyrimidine-2,4-diamine

C10H12N6 — CID 174718912

IUPAC5-(1-pyrimidin-5-ylethyl)pyrimidine-2,4-diamine
SMILESCC(c1cncnc1)c1cnc(N)nc1N
InChIInChI=1S/C10H12N6/c1-6(7-2-13-5-14-3-7)8-4-15-10(12)16-9(8)11/h2-6H,1H3,(H4,11,12,15,16)
InChIKeyJFHRCCLHVMWHPZ-UHFFFAOYSA-N
MW216.25 g/mol
LogP0.58
Rot. Bonds2

About 5-(1-pyrimidin-5-ylethyl)pyrimidine-2,4-diamine

5-(1-pyrimidin-5-ylethyl)pyrimidine-2,4-diamine (PubChem CID 174718912) has the molecular formula C10H12N6 and a molecular weight of 216.25 g/mol. Its IUPAC name is 5-(1-pyrimidin-5-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(1-pyrimidin-5-ylethyl)pyrimidine-2,4-diamine
PubChem CID174718912
Molecular FormulaC10H12N6
Molecular Weight216.25 g/mol
Exact Mass216.11
IUPAC Name5-(1-pyrimidin-5-ylethyl)pyrimidine-2,4-diamine
SMILESCC(c1cncnc1)c1cnc(N)nc1N
InChIInChI=1S/C10H12N6/c1-6(7-2-13-5-14-3-7)8-4-15-10(12)16-9(8)11/h2-6H,1H3,(H4,11,12,15,16)
InChIKeyJFHRCCLHVMWHPZ-UHFFFAOYSA-N
XLogP0.58
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1-pyrimidin-5-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(1-pyrimidin-5-ylethyl)pyrimidine-2,4-diamine (CID 174718912) is 5-(1-pyrimidin-5-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(1-pyrimidin-5-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(1-pyrimidin-5-ylethyl)pyrimidine-2,4-diamine is CC(c1cncnc1)c1cnc(N)nc1N.
What is the InChIKey of 5-(1-pyrimidin-5-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is JFHRCCLHVMWHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6/c1-6(7-2-13-5-14-3-7)8-4-15-10(12)16-9(8)11/h2-6H,1H3,(H4,11,12,15,16).
What are the key properties of 5-(1-pyrimidin-5-ylethyl)pyrimidine-2,4-diamine?
5-(1-pyrimidin-5-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 216.25 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-pyrimidin-5-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 174718912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).