N-(2-methoxyethyl)-4-propan-2-yloxypyrimidin-2-amine

C10H17N3O2 — CID 112636373

IUPACN-(2-methoxyethyl)-4-propan-2-yloxypyrimidin-2-amine
SMILESCOCCNc1nccc(OC(C)C)n1
InChIInChI=1S/C10H17N3O2/c1-8(2)15-9-4-5-11-10(13-9)12-6-7-14-3/h4-5,8H,6-7H2,1-3H3,(H,11,12,13)
InChIKeyBVPRZQSNMYWVDO-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.32
Rot. Bonds6

About N-(2-methoxyethyl)-4-propan-2-yloxypyrimidin-2-amine

N-(2-methoxyethyl)-4-propan-2-yloxypyrimidin-2-amine (PubChem CID 112636373) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-propan-2-yloxypyrimidin-2-amine
PubChem CID112636373
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-(2-methoxyethyl)-4-propan-2-yloxypyrimidin-2-amine
SMILESCOCCNc1nccc(OC(C)C)n1
InChIInChI=1S/C10H17N3O2/c1-8(2)15-9-4-5-11-10(13-9)12-6-7-14-3/h4-5,8H,6-7H2,1-3H3,(H,11,12,13)
InChIKeyBVPRZQSNMYWVDO-UHFFFAOYSA-N
XLogP1.32
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-propan-2-yloxy-N-propylpyrimidin-2-amine
CID 80860726
N-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112639457
N-(4-methylpentyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636998
N'-(4-propan-2-yloxypyrimidin-2-yl)hexane-1,6-diamine
CID 114008164
N-(2-phenylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636503
N'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine
CID 107323665
2-methyl-N'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine
CID 114151108
4-propan-2-yloxy-N-prop-2-enylpyrimidin-2-amine
CID 112637442
N-(2-piperidin-1-ylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112637281
2-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 83695203
N-[(5-methylfuran-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112637500
2,2-difluoro-N'-(4-propan-2-yloxypyrimidin-2-yl)propane-1,3-diamine
CID 114384250

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of N-(2-methoxyethyl)-4-propan-2-yloxypyrimidin-2-amine (CID 112636373) is N-(2-methoxyethyl)-4-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-propan-2-yloxypyrimidin-2-amine is COCCNc1nccc(OC(C)C)n1.
What is the InChIKey of N-(2-methoxyethyl)-4-propan-2-yloxypyrimidin-2-amine?
The InChIKey is BVPRZQSNMYWVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-8(2)15-9-4-5-11-10(13-9)12-6-7-14-3/h4-5,8H,6-7H2,1-3H3,(H,11,12,13).
What are the key properties of N-(2-methoxyethyl)-4-propan-2-yloxypyrimidin-2-amine?
N-(2-methoxyethyl)-4-propan-2-yloxypyrimidin-2-amine has a molecular weight of 211.26 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 112636373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).