6-(3-aminocyclobutyl)-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine

C13H18N6 — CID 91782212

IUPAC6-(3-aminocyclobutyl)-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine
SMILESNC1CC(c2cc(NCCc3cn[nH]c3)ncn2)C1
InChIInChI=1S/C13H18N6/c14-11-3-10(4-11)12-5-13(17-8-16-12)15-2-1-9-6-18-19-7-9/h5-8,10-11H,1-4,14H2,(H,18,19)(H,15,16,17)
InChIKeyBDNUWQJKWPOJJW-UHFFFAOYSA-N
MW258.33 g/mol
LogP1.06
Rot. Bonds5

About 6-(3-aminocyclobutyl)-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine

6-(3-aminocyclobutyl)-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine (PubChem CID 91782212) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine
PubChem CID91782212
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name6-(3-aminocyclobutyl)-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine
SMILESNC1CC(c2cc(NCCc3cn[nH]c3)ncn2)C1
InChIInChI=1S/C13H18N6/c14-11-3-10(4-11)12-5-13(17-8-16-12)15-2-1-9-6-18-19-7-9/h5-8,10-11H,1-4,14H2,(H,18,19)(H,15,16,17)
InChIKeyBDNUWQJKWPOJJW-UHFFFAOYSA-N
XLogP1.06
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-(3-aminocyclobutyl)-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine (CID 91782212) is 6-(3-aminocyclobutyl)-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-(3-aminocyclobutyl)-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine is NC1CC(c2cc(NCCc3cn[nH]c3)ncn2)C1.
What is the InChIKey of 6-(3-aminocyclobutyl)-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine?
The InChIKey is BDNUWQJKWPOJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c14-11-3-10(4-11)12-5-13(17-8-16-12)15-2-1-9-6-18-19-7-9/h5-8,10-11H,1-4,14H2,(H,18,19)(H,15,16,17).
What are the key properties of 6-(3-aminocyclobutyl)-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine?
6-(3-aminocyclobutyl)-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine has a molecular weight of 258.33 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 91782212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).