5-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine

C11H18N4O — CID 80772495

IUPAC5-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1NCC1CCCO1
InChIInChI=1S/C11H18N4O/c1-2-9-10(12)14-7-15-11(9)13-6-8-4-3-5-16-8/h7-8H,2-6H2,1H3,(H3,12,13,14,15)
InChIKeySQFTVYDNXGQUQQ-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.21
Rot. Bonds4

About 5-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine

5-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80772495) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80772495
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name5-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1NCC1CCCO1
InChIInChI=1S/C11H18N4O/c1-2-9-10(12)14-7-15-11(9)13-6-8-4-3-5-16-8/h7-8H,2-6H2,1H3,(H3,12,13,14,15)
InChIKeySQFTVYDNXGQUQQ-UHFFFAOYSA-N
XLogP1.21
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-6-hydrazinyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 80902329
6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542939
6-chloro-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 63729583
6-N-(3-methoxypropyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542993
6-chloro-N-(oxan-2-ylmethyl)-5-propylpyrimidin-4-amine
CID 55228553
4-N,4-N-bis(2-methylpropyl)-6-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542972
4-N-cyclobutyl-5-ethylpyrimidine-4,6-diamine
CID 80827503
N,5-diethyl-6-(oxolan-2-ylmethoxy)pyrimidin-4-amine
CID 80860410
5-ethyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80812781
6-(4-methylpiperidin-1-yl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
CID 22542968
3-methyl-2-N-(oxolan-2-ylmethyl)pyridine-2,5-diamine
CID 62476856
6-(3,5-dimethylphenoxy)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
CID 22540649

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine (CID 80772495) is 5-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine is CCc1c(N)ncnc1NCC1CCCO1.
What is the InChIKey of 5-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is SQFTVYDNXGQUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-9-10(12)14-7-15-11(9)13-6-8-4-3-5-16-8/h7-8H,2-6H2,1H3,(H3,12,13,14,15).
What are the key properties of 5-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine?
5-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 222.29 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80772495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).