2-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine

C11H13N5 — CID 116795499

IUPAC2-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCC(Nc1nccc(N)n1)c1ccncc1
InChIInChI=1S/C11H13N5/c1-8(9-2-5-13-6-3-9)15-11-14-7-4-10(12)16-11/h2-8H,1H3,(H3,12,14,15,16)
InChIKeyBCABHGXUUIVQAP-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.63
Rot. Bonds3

About 2-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine

2-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine (PubChem CID 116795499) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
PubChem CID116795499
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name2-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCC(Nc1nccc(N)n1)c1ccncc1
InChIInChI=1S/C11H13N5/c1-8(9-2-5-13-6-3-9)15-11-14-7-4-10(12)16-11/h2-8H,1H3,(H3,12,14,15,16)
InChIKeyBCABHGXUUIVQAP-UHFFFAOYSA-N
XLogP1.63
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[1-(4-methylphenyl)ethyl]pyrimidin-2-amine
CID 62958041
N-[1-(4-aminophenyl)ethyl]-4-ethoxypyrimidin-2-amine
CID 112638879
2-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 83695078
5-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80781986
2-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyrimidine-2,4-diamine
CID 116795743
2-N-(1-pyridin-4-ylethyl)pyridine-2,5-diamine
CID 43524034
4-chloro-N-(1-phenylethyl)pyrimidin-2-amine
CID 18375668
N-[1-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
CID 62960002
5-chloro-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80781987
4-(aminomethyl)-N-propan-2-ylpyrimidin-2-amine
CID 107541907
6-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112726063
4-N-methyl-2-N-(1-phenylethyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112890689

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine (CID 116795499) is 2-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine is CC(Nc1nccc(N)n1)c1ccncc1.
What is the InChIKey of 2-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is BCABHGXUUIVQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-8(9-2-5-13-6-3-9)15-11-14-7-4-10(12)16-11/h2-8H,1H3,(H3,12,14,15,16).
What are the key properties of 2-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
2-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 215.26 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 116795499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).