6-N-ethyl-4-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine

C14H24N4O — CID 82736485

IUPAC6-N-ethyl-4-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1cc(NC2CCOC2C)nc(C(C)C)n1
InChIInChI=1S/C14H24N4O/c1-5-15-12-8-13(18-14(17-12)9(2)3)16-11-6-7-19-10(11)4/h8-11H,5-7H2,1-4H3,(H2,15,16,17,18)
InChIKeyABMYQESQXOKRMT-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.62
Rot. Bonds5

About 6-N-ethyl-4-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine

6-N-ethyl-4-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 82736485) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 6-N-ethyl-4-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID82736485
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name6-N-ethyl-4-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1cc(NC2CCOC2C)nc(C(C)C)n1
InChIInChI=1S/C14H24N4O/c1-5-15-12-8-13(18-14(17-12)9(2)3)16-11-6-7-19-10(11)4/h8-11H,5-7H2,1-4H3,(H2,15,16,17,18)
InChIKeyABMYQESQXOKRMT-UHFFFAOYSA-N
XLogP2.62
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethanol
CID 80958153
4-N-(1,4-dioxan-2-ylmethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967954
6-(2,5-dimethylmorpholin-4-yl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 80967249
4-N-(cyclohexylmethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967492
N-ethyl-6-(2-methylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80955848
4-N,6-N-bis(2-methyloxolan-3-yl)pyrimidine-4,6-diamine
CID 86797851
6-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 82736266
4-N-(2-methyloxolan-3-yl)-2-propylpyrimidine-4,6-diamine
CID 82736136
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 104961825
6-chloro-5-methyl-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidin-4-amine
CID 82728998
3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]piperidin-2-one
CID 80957227
6-N-ethyl-4-N-(1-ethylpiperidin-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961869

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine (CID 82736485) is 6-N-ethyl-4-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine is CCNc1cc(NC2CCOC2C)nc(C(C)C)n1.
What is the InChIKey of 6-N-ethyl-4-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is ABMYQESQXOKRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-5-15-12-8-13(18-14(17-12)9(2)3)16-11-6-7-19-10(11)4/h8-11H,5-7H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 6-N-ethyl-4-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine?
6-N-ethyl-4-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 264.37 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 82736485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).