5-ethyl-4-(1-methyl-2,3-dihydropyrrol-5-yl)pyrimidin-2-amine

C11H16N4 — CID 123714202

IUPAC5-ethyl-4-(1-methyl-2,3-dihydropyrrol-5-yl)pyrimidin-2-amine
SMILESCCc1cnc(N)nc1C1=CCCN1C
InChIInChI=1S/C11H16N4/c1-3-8-7-13-11(12)14-10(8)9-5-4-6-15(9)2/h5,7H,3-4,6H2,1-2H3,(H2,12,13,14)
InChIKeyPTBUCRGDMUZHCK-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.30
Rot. Bonds2

About 5-ethyl-4-(1-methyl-2,3-dihydropyrrol-5-yl)pyrimidin-2-amine

5-ethyl-4-(1-methyl-2,3-dihydropyrrol-5-yl)pyrimidin-2-amine (PubChem CID 123714202) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 5-ethyl-4-(1-methyl-2,3-dihydropyrrol-5-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-ethyl-4-(1-methyl-2,3-dihydropyrrol-5-yl)pyrimidin-2-amine
PubChem CID123714202
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name5-ethyl-4-(1-methyl-2,3-dihydropyrrol-5-yl)pyrimidin-2-amine
SMILESCCc1cnc(N)nc1C1=CCCN1C
InChIInChI=1S/C11H16N4/c1-3-8-7-13-11(12)14-10(8)9-5-4-6-15(9)2/h5,7H,3-4,6H2,1-2H3,(H2,12,13,14)
InChIKeyPTBUCRGDMUZHCK-UHFFFAOYSA-N
XLogP1.30
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(1-methyl-2,3-dihydropyrrol-5-yl)pyrimidin-2-amine?
The IUPAC name of 5-ethyl-4-(1-methyl-2,3-dihydropyrrol-5-yl)pyrimidin-2-amine (CID 123714202) is 5-ethyl-4-(1-methyl-2,3-dihydropyrrol-5-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-ethyl-4-(1-methyl-2,3-dihydropyrrol-5-yl)pyrimidin-2-amine?
The canonical SMILES for 5-ethyl-4-(1-methyl-2,3-dihydropyrrol-5-yl)pyrimidin-2-amine is CCc1cnc(N)nc1C1=CCCN1C.
What is the InChIKey of 5-ethyl-4-(1-methyl-2,3-dihydropyrrol-5-yl)pyrimidin-2-amine?
The InChIKey is PTBUCRGDMUZHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-3-8-7-13-11(12)14-10(8)9-5-4-6-15(9)2/h5,7H,3-4,6H2,1-2H3,(H2,12,13,14).
What are the key properties of 5-ethyl-4-(1-methyl-2,3-dihydropyrrol-5-yl)pyrimidin-2-amine?
5-ethyl-4-(1-methyl-2,3-dihydropyrrol-5-yl)pyrimidin-2-amine has a molecular weight of 204.28 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(1-methyl-2,3-dihydropyrrol-5-yl)pyrimidin-2-amine is sourced from PubChem (CID 123714202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).