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

C13H22N4O — CID 112886716

IUPAC2-N,2-N-diethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCCN(CC)c1nccc(NCC2CCCO2)n1
InChIInChI=1S/C13H22N4O/c1-3-17(4-2)13-14-8-7-12(16-13)15-10-11-6-5-9-18-11/h7-8,11H,3-6,9-10H2,1-2H3,(H,14,15,16)
InChIKeyPSNVSULZAKCUKK-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.91
Rot. Bonds6

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

2-N,2-N-diethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 112886716) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-N,2-N-diethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID112886716
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-N,2-N-diethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCCN(CC)c1nccc(NCC2CCCO2)n1
InChIInChI=1S/C13H22N4O/c1-3-17(4-2)13-14-8-7-12(16-13)15-10-11-6-5-9-18-11/h7-8,11H,3-6,9-10H2,1-2H3,(H,14,15,16)
InChIKeyPSNVSULZAKCUKK-UHFFFAOYSA-N
XLogP1.91
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 80772162
2-N-cyclohexyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112884929
2-N-(2-methoxyethyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112885846
4-N-[2-(dimethylamino)ethyl]-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112886841
3-N-ethyl-5-N-(oxolan-2-ylmethyl)-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112944434
N-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112886715
2-N-(4-ethoxyphenyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112886777
5-N-(oxolan-2-ylmethyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112944414
2-N-(2-ethoxyphenyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112886776
5-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 43104324
6-bromo-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 63961095
4-N,6-N-bis(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857188

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N-diethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine (CID 112886716) is 2-N,2-N-diethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N-diethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine is CCN(CC)c1nccc(NCC2CCCO2)n1.
What is the InChIKey of 2-N,2-N-diethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is PSNVSULZAKCUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-17(4-2)13-14-8-7-12(16-13)15-10-11-6-5-9-18-11/h7-8,11H,3-6,9-10H2,1-2H3,(H,14,15,16).
What are the key properties of 2-N,2-N-diethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine?
2-N,2-N-diethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 250.35 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112886716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).