[6-(pyridin-4-ylamino)pyrimidin-4-yl]methanediol

C10H10N4O2 — CID 129090569

IUPAC[6-(pyridin-4-ylamino)pyrimidin-4-yl]methanediol
SMILESOC(O)c1cc(Nc2ccncc2)ncn1
InChIInChI=1S/C10H10N4O2/c15-10(16)8-5-9(13-6-12-8)14-7-1-3-11-4-2-7/h1-6,10,15-16H,(H,11,12,13,14)
InChIKeyVJJAKUFQWUEGPE-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.60
Rot. Bonds3

About [6-(pyridin-4-ylamino)pyrimidin-4-yl]methanediol

[6-(pyridin-4-ylamino)pyrimidin-4-yl]methanediol (PubChem CID 129090569) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is [6-(pyridin-4-ylamino)pyrimidin-4-yl]methanediol.

Molecular Properties

Compound Name[6-(pyridin-4-ylamino)pyrimidin-4-yl]methanediol
PubChem CID129090569
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name[6-(pyridin-4-ylamino)pyrimidin-4-yl]methanediol
SMILESOC(O)c1cc(Nc2ccncc2)ncn1
InChIInChI=1S/C10H10N4O2/c15-10(16)8-5-9(13-6-12-8)14-7-1-3-11-4-2-7/h1-6,10,15-16H,(H,11,12,13,14)
InChIKeyVJJAKUFQWUEGPE-UHFFFAOYSA-N
XLogP0.60
TPSA91.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-N-ethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 115265643
4-N-(1-aminopropan-2-yl)-6-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 115263744
2-[[6-(pyridin-4-ylamino)pyrimidin-4-yl]amino]acetonitrile
CID 115264796
6-anilino-N-pyridin-4-ylpyrimidine-4-carboxamide
CID 167762854
4-N-(azetidin-3-yl)-6-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 115264106
4-N-(3-ethylsulfonylphenyl)-6-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 159359296
4-(pyrimidin-4-ylamino)phenol
CID 115017243
N-[4-[[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112860976
N-pyridin-4-yl-1,3,5-triazin-2-amine
CID 123186486
2,4-bis[4-[[6-(methylamino)pyrimidin-4-yl]amino]phenyl]pentan-3-one
CID 150888765
4-N-methyl-6-N-(4-methylphenyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861821
6-N-phenyl-4-N-pyridin-2-ylpyrimidine-4,6-diamine
CID 117085780

Frequently Asked Questions

What is the IUPAC name of [6-(pyridin-4-ylamino)pyrimidin-4-yl]methanediol?
The IUPAC name of [6-(pyridin-4-ylamino)pyrimidin-4-yl]methanediol (CID 129090569) is [6-(pyridin-4-ylamino)pyrimidin-4-yl]methanediol.
What is the SMILES notation for [6-(pyridin-4-ylamino)pyrimidin-4-yl]methanediol?
The canonical SMILES for [6-(pyridin-4-ylamino)pyrimidin-4-yl]methanediol is OC(O)c1cc(Nc2ccncc2)ncn1.
What is the InChIKey of [6-(pyridin-4-ylamino)pyrimidin-4-yl]methanediol?
The InChIKey is VJJAKUFQWUEGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c15-10(16)8-5-9(13-6-12-8)14-7-1-3-11-4-2-7/h1-6,10,15-16H,(H,11,12,13,14).
What are the key properties of [6-(pyridin-4-ylamino)pyrimidin-4-yl]methanediol?
[6-(pyridin-4-ylamino)pyrimidin-4-yl]methanediol has a molecular weight of 218.22 g/mol, XLogP of 0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(pyridin-4-ylamino)pyrimidin-4-yl]methanediol is sourced from PubChem (CID 129090569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).