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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Related Compounds

5-Cyclohexylpyrimidin-2-amine
CID 13163993
3-(Pyrimidin-5-yl)propan-1-amine
CID 15703007
5-(Piperidin-4-yl)pyrimidine
CID 24904194
5-Butyl-2-pyrimidinamine
CID 45071698
5-Cyclopropylpyrimidin-2-amine
CID 45080433
2-Chloro-5-cyclopropylpyrimidin-4-amine
CID 89155427
5-Butylpyrimidine
CID 18952838
5-(Piperidin-4-yl)pyrimidine dihydrochloride
CID 91623829
5-(4-Fluoropiperidin-4-yl)pyrimidine dihydrochloride
CID 102551689
5-Propyl-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
CID 2811492
2-Azido-5-n-butylpyrimidin
CID 23278869
5,6,7,8-Tetrahydropyrido[2,3-d]pyrimidin-2-amine
CID 13404586

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).