4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine

C9H14N4O — CID 80772162

IUPAC4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
SMILESNc1nccc(NCC2CCCO2)n1
InChIInChI=1S/C9H14N4O/c10-9-11-4-3-8(13-9)12-6-7-2-1-5-14-7/h3-4,7H,1-2,5-6H2,(H3,10,11,12,13)
InChIKeyZOZHMHBMYDHZHD-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.65
Rot. Bonds3

About 4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine

4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 80772162) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID80772162
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
SMILESNc1nccc(NCC2CCCO2)n1
InChIInChI=1S/C9H14N4O/c10-9-11-4-3-8(13-9)12-6-7-2-1-5-14-7/h3-4,7H,1-2,5-6H2,(H3,10,11,12,13)
InChIKeyZOZHMHBMYDHZHD-UHFFFAOYSA-N
XLogP0.65
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,2-N-diethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112886716
2-N-cyclohexyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112884929
N-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112886715
6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 23993069
4-N-[(4-ethylmorpholin-2-yl)methyl]pyrimidine-2,4-diamine
CID 114401447
2-N-(2-methoxyethyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112885846
6-N-(oxan-2-ylmethyl)pyridine-2,3,6-triamine
CID 79825613
6-methoxy-2-N-(oxolan-2-ylmethyl)pyridine-2,5-diamine
CID 43261205
6-methoxy-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 103817391
2-N-(oxolan-2-ylmethyl)quinoline-2,6-diamine
CID 43383029
6-bromo-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 63961095
2-[[(2-aminopyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 80856454

Frequently Asked Questions

What is the IUPAC name of 4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine (CID 80772162) is 4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine is Nc1nccc(NCC2CCCO2)n1.
What is the InChIKey of 4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is ZOZHMHBMYDHZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c10-9-11-4-3-8(13-9)12-6-7-2-1-5-14-7/h3-4,7H,1-2,5-6H2,(H3,10,11,12,13).
What are the key properties of 4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine?
4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 194.24 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80772162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).