N-[2-(1H-imidazol-5-yl)ethyl]pyrimidin-2-amine

C9H11N5 — CID 10012717

IUPACN-[2-(1H-imidazol-5-yl)ethyl]pyrimidin-2-amine
SMILESc1cnc(NCCc2cnc[nH]2)nc1
InChIInChI=1S/C9H11N5/c1-3-11-9(12-4-1)13-5-2-8-6-10-7-14-8/h1,3-4,6-7H,2,5H2,(H,10,14)(H,11,12,13)
InChIKeyWCOQONJULQUHJX-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.85
Rot. Bonds4

About N-[2-(1H-imidazol-5-yl)ethyl]pyrimidin-2-amine

N-[2-(1H-imidazol-5-yl)ethyl]pyrimidin-2-amine (PubChem CID 10012717) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]pyrimidin-2-amine
PubChem CID10012717
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]pyrimidin-2-amine
SMILESc1cnc(NCCc2cnc[nH]2)nc1
InChIInChI=1S/C9H11N5/c1-3-11-9(12-4-1)13-5-2-8-6-10-7-14-8/h1,3-4,6-7H,2,5H2,(H,10,14)(H,11,12,13)
InChIKeyWCOQONJULQUHJX-UHFFFAOYSA-N
XLogP0.85
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]pyrimidin-2-amine (CID 10012717) is N-[2-(1H-imidazol-5-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]pyrimidin-2-amine is c1cnc(NCCc2cnc[nH]2)nc1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]pyrimidin-2-amine?
The InChIKey is WCOQONJULQUHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-3-11-9(12-4-1)13-5-2-8-6-10-7-14-8/h1,3-4,6-7H,2,5H2,(H,10,14)(H,11,12,13).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]pyrimidin-2-amine?
N-[2-(1H-imidazol-5-yl)ethyl]pyrimidin-2-amine has a molecular weight of 189.22 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 10012717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).