N-(1H-pyrrol-2-yl)pyrimidin-2-amine

C8H8N4 — CID 66680258

IUPACN-(1H-pyrrol-2-yl)pyrimidin-2-amine
SMILESc1cnc(Nc2ccc[nH]2)nc1
InChIInChI=1S/C8H8N4/c1-3-7(9-4-1)12-8-10-5-2-6-11-8/h1-6,9H,(H,10,11,12)
InChIKeyYMNRENUXVNZXCL-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.55
Rot. Bonds2

About N-(1H-pyrrol-2-yl)pyrimidin-2-amine

N-(1H-pyrrol-2-yl)pyrimidin-2-amine (PubChem CID 66680258) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is N-(1H-pyrrol-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(1H-pyrrol-2-yl)pyrimidin-2-amine
PubChem CID66680258
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC NameN-(1H-pyrrol-2-yl)pyrimidin-2-amine
SMILESc1cnc(Nc2ccc[nH]2)nc1
InChIInChI=1S/C8H8N4/c1-3-7(9-4-1)12-8-10-5-2-6-11-8/h1-6,9H,(H,10,11,12)
InChIKeyYMNRENUXVNZXCL-UHFFFAOYSA-N
XLogP1.55
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrrol-2-yl)pyrimidin-2-amine?
The IUPAC name of N-(1H-pyrrol-2-yl)pyrimidin-2-amine (CID 66680258) is N-(1H-pyrrol-2-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(1H-pyrrol-2-yl)pyrimidin-2-amine?
The canonical SMILES for N-(1H-pyrrol-2-yl)pyrimidin-2-amine is c1cnc(Nc2ccc[nH]2)nc1.
What is the InChIKey of N-(1H-pyrrol-2-yl)pyrimidin-2-amine?
The InChIKey is YMNRENUXVNZXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c1-3-7(9-4-1)12-8-10-5-2-6-11-8/h1-6,9H,(H,10,11,12).
What are the key properties of N-(1H-pyrrol-2-yl)pyrimidin-2-amine?
N-(1H-pyrrol-2-yl)pyrimidin-2-amine has a molecular weight of 160.18 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrrol-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 66680258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).