6-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]pyrimidin-4-amine

C11H14N4 — CID 75483789

IUPAC6-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]pyrimidin-4-amine
SMILESCc1cc(NCCc2ccc[nH]2)ncn1
InChIInChI=1S/C11H14N4/c1-9-7-11(15-8-14-9)13-6-4-10-3-2-5-12-10/h2-3,5,7-8,12H,4,6H2,1H3,(H,13,14,15)
InChIKeyNIDLMZIXJVAMRH-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.77
Rot. Bonds4

About 6-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]pyrimidin-4-amine

6-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]pyrimidin-4-amine (PubChem CID 75483789) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 6-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]pyrimidin-4-amine
PubChem CID75483789
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name6-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]pyrimidin-4-amine
SMILESCc1cc(NCCc2ccc[nH]2)ncn1
InChIInChI=1S/C11H14N4/c1-9-7-11(15-8-14-9)13-6-4-10-3-2-5-12-10/h2-3,5,7-8,12H,4,6H2,1H3,(H,13,14,15)
InChIKeyNIDLMZIXJVAMRH-UHFFFAOYSA-N
XLogP1.77
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]pyrimidin-4-amine (CID 75483789) is 6-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]pyrimidin-4-amine is Cc1cc(NCCc2ccc[nH]2)ncn1.
What is the InChIKey of 6-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]pyrimidin-4-amine?
The InChIKey is NIDLMZIXJVAMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-9-7-11(15-8-14-9)13-6-4-10-3-2-5-12-10/h2-3,5,7-8,12H,4,6H2,1H3,(H,13,14,15).
What are the key properties of 6-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]pyrimidin-4-amine?
6-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]pyrimidin-4-amine has a molecular weight of 202.26 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 75483789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).