4-propoxypyrimidin-2-amine

C7H11N3O — CID 79002172

IUPAC4-propoxypyrimidin-2-amine
SMILESCCCOc1ccnc(N)n1
InChIInChI=1S/C7H11N3O/c1-2-5-11-6-3-4-9-7(8)10-6/h3-4H,2,5H2,1H3,(H2,8,9,10)
InChIKeyWELSYRUGYUVOEJ-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.85
Rot. Bonds3

About 4-propoxypyrimidin-2-amine

4-propoxypyrimidin-2-amine (PubChem CID 79002172) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 4-propoxypyrimidin-2-amine.

Molecular Properties

Compound Name4-propoxypyrimidin-2-amine
PubChem CID79002172
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name4-propoxypyrimidin-2-amine
SMILESCCCOc1ccnc(N)n1
InChIInChI=1S/C7H11N3O/c1-2-5-11-6-3-4-9-7(8)10-6/h3-4H,2,5H2,1H3,(H2,8,9,10)
InChIKeyWELSYRUGYUVOEJ-UHFFFAOYSA-N
XLogP0.85
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-butoxyethoxy)pyrimidin-2-amine
CID 80861687
4-[2-(2-methoxyethoxy)ethoxy]pyrimidin-2-amine
CID 104568278
4-(2-pyridin-2-ylethoxy)pyrimidin-2-amine
CID 80864949
2-(2-propoxypyrimidin-4-yl)oxyethanol
CID 68639472
N-[(2-aminophenyl)methyl]-4-propoxypyrimidin-2-amine
CID 112638883
N-(2-bromoethyl)-N-methyl-4-propoxypyrimidin-2-amine
CID 112639376
2-(4-propoxypyrimidin-2-yl)acetic acid
CID 104571285
4-[[4-(2-ethylpentyl)phenyl]methoxy]pyrimidin-2-amine
CID 146212414
4-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethoxy]pyrimidin-2-amine
CID 10640381
N'-butyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine
CID 112639107
4-phenyl-6-propoxypyrimidin-2-amine
CID 46173611
4-propoxypyrimidine
CID 23198177

Frequently Asked Questions

What is the IUPAC name of 4-propoxypyrimidin-2-amine?
The IUPAC name of 4-propoxypyrimidin-2-amine (CID 79002172) is 4-propoxypyrimidin-2-amine.
What is the SMILES notation for 4-propoxypyrimidin-2-amine?
The canonical SMILES for 4-propoxypyrimidin-2-amine is CCCOc1ccnc(N)n1.
What is the InChIKey of 4-propoxypyrimidin-2-amine?
The InChIKey is WELSYRUGYUVOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-2-5-11-6-3-4-9-7(8)10-6/h3-4H,2,5H2,1H3,(H2,8,9,10).
What are the key properties of 4-propoxypyrimidin-2-amine?
4-propoxypyrimidin-2-amine has a molecular weight of 153.19 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxypyrimidin-2-amine is sourced from PubChem (CID 79002172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).