6-N-ethyl-4-N-methyl-4-N-(oxolan-3-yl)-5-propylpyrimidine-4,6-diamine

C14H24N4O — CID 82746096

IUPAC6-N-ethyl-4-N-methyl-4-N-(oxolan-3-yl)-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NCC)ncnc1N(C)C1CCOC1
InChIInChI=1S/C14H24N4O/c1-4-6-12-13(15-5-2)16-10-17-14(12)18(3)11-7-8-19-9-11/h10-11H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyWGPQFLCKWXEKMY-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.09
Rot. Bonds6

About 6-N-ethyl-4-N-methyl-4-N-(oxolan-3-yl)-5-propylpyrimidine-4,6-diamine

6-N-ethyl-4-N-methyl-4-N-(oxolan-3-yl)-5-propylpyrimidine-4,6-diamine (PubChem CID 82746096) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 6-N-ethyl-4-N-methyl-4-N-(oxolan-3-yl)-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-methyl-4-N-(oxolan-3-yl)-5-propylpyrimidine-4,6-diamine
PubChem CID82746096
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name6-N-ethyl-4-N-methyl-4-N-(oxolan-3-yl)-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NCC)ncnc1N(C)C1CCOC1
InChIInChI=1S/C14H24N4O/c1-4-6-12-13(15-5-2)16-10-17-14(12)18(3)11-7-8-19-9-11/h10-11H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyWGPQFLCKWXEKMY-UHFFFAOYSA-N
XLogP2.09
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-methyl-4-N-(oxan-4-yl)-5-propylpyrimidine-4,6-diamine
CID 80789465
6-N-ethyl-4-N,4-N-dimethyl-5-propylpyrimidine-4,6-diamine
CID 80765941
5-ethyl-6-hydrazinyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine
CID 80906429
4-N-cyclohexyl-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80761845
4-N-methyl-6-N,5-dipropyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine
CID 80784672
6-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)-5-propylpyrimidin-4-amine
CID 80910226
4-N-cyclohexyl-6-N-ethyl-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80761918
4-N-butan-2-yl-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80775365
4-N-(oxolan-3-yl)-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80853652
4-N-[2-(cyclopropylmethoxy)ethyl]-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80838133
6-chloro-5-methoxy-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine
CID 82749328
4-N-methyl-4-N-(oxolan-3-yl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 82744530

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-methyl-4-N-(oxolan-3-yl)-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-methyl-4-N-(oxolan-3-yl)-5-propylpyrimidine-4,6-diamine (CID 82746096) is 6-N-ethyl-4-N-methyl-4-N-(oxolan-3-yl)-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-methyl-4-N-(oxolan-3-yl)-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-methyl-4-N-(oxolan-3-yl)-5-propylpyrimidine-4,6-diamine is CCCc1c(NCC)ncnc1N(C)C1CCOC1.
What is the InChIKey of 6-N-ethyl-4-N-methyl-4-N-(oxolan-3-yl)-5-propylpyrimidine-4,6-diamine?
The InChIKey is WGPQFLCKWXEKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-6-12-13(15-5-2)16-10-17-14(12)18(3)11-7-8-19-9-11/h10-11H,4-9H2,1-3H3,(H,15,16,17).
What are the key properties of 6-N-ethyl-4-N-methyl-4-N-(oxolan-3-yl)-5-propylpyrimidine-4,6-diamine?
6-N-ethyl-4-N-methyl-4-N-(oxolan-3-yl)-5-propylpyrimidine-4,6-diamine has a molecular weight of 264.37 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-methyl-4-N-(oxolan-3-yl)-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 82746096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).