5-(oxetan-3-ylmethyl)pyrimidine-2,4-diamine

C8H12N4O — CID 145385503

IUPAC5-(oxetan-3-ylmethyl)pyrimidine-2,4-diamine
SMILESNc1ncc(CC2COC2)c(N)n1
InChIInChI=1S/C8H12N4O/c9-7-6(1-5-3-13-4-5)2-11-8(10)12-7/h2,5H,1,3-4H2,(H4,9,10,11,12)
InChIKeyITKOPYNJGFOOKA-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.17
Rot. Bonds2

About 5-(oxetan-3-ylmethyl)pyrimidine-2,4-diamine

5-(oxetan-3-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 145385503) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 5-(oxetan-3-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(oxetan-3-ylmethyl)pyrimidine-2,4-diamine
PubChem CID145385503
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name5-(oxetan-3-ylmethyl)pyrimidine-2,4-diamine
SMILESNc1ncc(CC2COC2)c(N)n1
InChIInChI=1S/C8H12N4O/c9-7-6(1-5-3-13-4-5)2-11-8(10)12-7/h2,5H,1,3-4H2,(H4,9,10,11,12)
InChIKeyITKOPYNJGFOOKA-UHFFFAOYSA-N
XLogP-0.17
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2,4-diaminopyrimidin-5-yl)methanethiol
CID 141014198
5-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine
CID 118902622
5-(2-iodoethyl)pyrimidine-2,4-diamine
CID 130205960
5-[[8-(3,5-dimethoxyphenyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyrimidine-2,4-diamine
CID 21147535
2-amino-3-(2,4-diaminopyrimidin-5-yl)propan-1-ol
CID 131098978
5-hexylpyrimidine-2,4-diamine
CID 23086565
4-chloro-5-(oxetan-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 162760969
5-[[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]methyl]pyrimidine-2,4-diamine
CID 155953932
5-(5-naphthalen-1-ylpentyl)pyrimidine-2,4-diamine
CID 15334563
2-(oxetan-3-ylmethyl)benzenesulfonamide
CID 142797710
5-(anilinomethyl)pyrimidine-2,4-diamine
CID 516692
5-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 10752197

Frequently Asked Questions

What is the IUPAC name of 5-(oxetan-3-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(oxetan-3-ylmethyl)pyrimidine-2,4-diamine (CID 145385503) is 5-(oxetan-3-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(oxetan-3-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(oxetan-3-ylmethyl)pyrimidine-2,4-diamine is Nc1ncc(CC2COC2)c(N)n1.
What is the InChIKey of 5-(oxetan-3-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is ITKOPYNJGFOOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c9-7-6(1-5-3-13-4-5)2-11-8(10)12-7/h2,5H,1,3-4H2,(H4,9,10,11,12).
What are the key properties of 5-(oxetan-3-ylmethyl)pyrimidine-2,4-diamine?
5-(oxetan-3-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 180.21 g/mol, XLogP of -0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxetan-3-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 145385503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).