4-ethyl-6-(3-pyrrolidin-1-ylazetidin-1-yl)-1H-pyrimidine-2,4-diamine

C13H24N6 — CID 151404397

IUPAC4-ethyl-6-(3-pyrrolidin-1-ylazetidin-1-yl)-1H-pyrimidine-2,4-diamine
SMILESCCC1(N)C=C(N2CC(N3CCCC3)C2)NC(N)=N1
InChIInChI=1S/C13H24N6/c1-2-13(15)7-11(16-12(14)17-13)19-8-10(9-19)18-5-3-4-6-18/h7,10H,2-6,8-9,15H2,1H3,(H3,14,16,17)
InChIKeyOXEMGUXTXAWNLJ-UHFFFAOYSA-N
MW264.38 g/mol
LogP-0.41
Rot. Bonds3

About 4-ethyl-6-(3-pyrrolidin-1-ylazetidin-1-yl)-1H-pyrimidine-2,4-diamine

4-ethyl-6-(3-pyrrolidin-1-ylazetidin-1-yl)-1H-pyrimidine-2,4-diamine (PubChem CID 151404397) has the molecular formula C13H24N6 and a molecular weight of 264.38 g/mol. Its IUPAC name is 4-ethyl-6-(3-pyrrolidin-1-ylazetidin-1-yl)-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-ethyl-6-(3-pyrrolidin-1-ylazetidin-1-yl)-1H-pyrimidine-2,4-diamine
PubChem CID151404397
Molecular FormulaC13H24N6
Molecular Weight264.38 g/mol
Exact Mass264.21
IUPAC Name4-ethyl-6-(3-pyrrolidin-1-ylazetidin-1-yl)-1H-pyrimidine-2,4-diamine
SMILESCCC1(N)C=C(N2CC(N3CCCC3)C2)NC(N)=N1
InChIInChI=1S/C13H24N6/c1-2-13(15)7-11(16-12(14)17-13)19-8-10(9-19)18-5-3-4-6-18/h7,10H,2-6,8-9,15H2,1H3,(H3,14,16,17)
InChIKeyOXEMGUXTXAWNLJ-UHFFFAOYSA-N
XLogP-0.41
TPSA82.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-(3-pyrrolidin-1-ylazetidin-1-yl)-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-ethyl-6-(3-pyrrolidin-1-ylazetidin-1-yl)-1H-pyrimidine-2,4-diamine (CID 151404397) is 4-ethyl-6-(3-pyrrolidin-1-ylazetidin-1-yl)-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-ethyl-6-(3-pyrrolidin-1-ylazetidin-1-yl)-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-ethyl-6-(3-pyrrolidin-1-ylazetidin-1-yl)-1H-pyrimidine-2,4-diamine is CCC1(N)C=C(N2CC(N3CCCC3)C2)NC(N)=N1.
What is the InChIKey of 4-ethyl-6-(3-pyrrolidin-1-ylazetidin-1-yl)-1H-pyrimidine-2,4-diamine?
The InChIKey is OXEMGUXTXAWNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6/c1-2-13(15)7-11(16-12(14)17-13)19-8-10(9-19)18-5-3-4-6-18/h7,10H,2-6,8-9,15H2,1H3,(H3,14,16,17).
What are the key properties of 4-ethyl-6-(3-pyrrolidin-1-ylazetidin-1-yl)-1H-pyrimidine-2,4-diamine?
4-ethyl-6-(3-pyrrolidin-1-ylazetidin-1-yl)-1H-pyrimidine-2,4-diamine has a molecular weight of 264.38 g/mol, XLogP of -0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-(3-pyrrolidin-1-ylazetidin-1-yl)-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 151404397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).