N-pyrrol-1-ylpyrimidin-4-amine

C8H8N4 — CID 15158241

IUPACN-pyrrol-1-ylpyrimidin-4-amine
SMILESc1ccn(Nc2ccncn2)c1
InChIInChI=1S/C8H8N4/c1-2-6-12(5-1)11-8-3-4-9-7-10-8/h1-7H,(H,9,10,11)
InChIKeyYPOSBKKPGVRUDH-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.15
Rot. Bonds2

About N-pyrrol-1-ylpyrimidin-4-amine

N-pyrrol-1-ylpyrimidin-4-amine (PubChem CID 15158241) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is N-pyrrol-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-pyrrol-1-ylpyrimidin-4-amine
PubChem CID15158241
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC NameN-pyrrol-1-ylpyrimidin-4-amine
SMILESc1ccn(Nc2ccncn2)c1
InChIInChI=1S/C8H8N4/c1-2-6-12(5-1)11-8-3-4-9-7-10-8/h1-7H,(H,9,10,11)
InChIKeyYPOSBKKPGVRUDH-UHFFFAOYSA-N
XLogP1.15
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-piperazin-1-ylpyrimidin-4-amine
CID 91284163
1-chloro-2-pyrimidin-4-ylhydrazine
CID 174607543
2-(pyrimidin-4-ylamino)-3H-isoindol-1-one;hydrochloride
CID 142800860
ethane;N-ethylpyrimidin-4-amine
CID 167491074
3-pyrimidin-4-ylimidazo[1,2-a]pyridine
CID 123574015
N-(2-chlorophenyl)pyrimidin-4-amine
CID 174441360
N-thiophen-2-ylpyrimidin-4-amine
CID 91562875
N-(2-imidazol-1-ylethyl)pyrimidin-4-amine
CID 61325111
N-pyrimidin-4-ylacetamide;hydrochloride
CID 126797028
N-methyl-N'-pyrimidin-4-ylethane-1,2-diamine
CID 62658944
4-(pyrimidin-4-ylamino)phenol
CID 115017243
N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-4-amine
CID 79362243

Frequently Asked Questions

What is the IUPAC name of N-pyrrol-1-ylpyrimidin-4-amine?
The IUPAC name of N-pyrrol-1-ylpyrimidin-4-amine (CID 15158241) is N-pyrrol-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-pyrrol-1-ylpyrimidin-4-amine?
The canonical SMILES for N-pyrrol-1-ylpyrimidin-4-amine is c1ccn(Nc2ccncn2)c1.
What is the InChIKey of N-pyrrol-1-ylpyrimidin-4-amine?
The InChIKey is YPOSBKKPGVRUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c1-2-6-12(5-1)11-8-3-4-9-7-10-8/h1-7H,(H,9,10,11).
What are the key properties of N-pyrrol-1-ylpyrimidin-4-amine?
N-pyrrol-1-ylpyrimidin-4-amine has a molecular weight of 160.18 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrol-1-ylpyrimidin-4-amine is sourced from PubChem (CID 15158241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).