N-hexan-3-yl-4-methyl-6-propoxypyrimidin-2-amine

C14H25N3O — CID 112637434

IUPACN-hexan-3-yl-4-methyl-6-propoxypyrimidin-2-amine
SMILESCCCOc1cc(C)nc(NC(CC)CCC)n1
InChIInChI=1S/C14H25N3O/c1-5-8-12(7-3)16-14-15-11(4)10-13(17-14)18-9-6-2/h10,12H,5-9H2,1-4H3,(H,15,16,17)
InChIKeyXRFCTFWCTBDANQ-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.56
Rot. Bonds8

About N-hexan-3-yl-4-methyl-6-propoxypyrimidin-2-amine

N-hexan-3-yl-4-methyl-6-propoxypyrimidin-2-amine (PubChem CID 112637434) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-hexan-3-yl-4-methyl-6-propoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-hexan-3-yl-4-methyl-6-propoxypyrimidin-2-amine
PubChem CID112637434
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-hexan-3-yl-4-methyl-6-propoxypyrimidin-2-amine
SMILESCCCOc1cc(C)nc(NC(CC)CCC)n1
InChIInChI=1S/C14H25N3O/c1-5-8-12(7-3)16-14-15-11(4)10-13(17-14)18-9-6-2/h10,12H,5-9H2,1-4H3,(H,15,16,17)
InChIKeyXRFCTFWCTBDANQ-UHFFFAOYSA-N
XLogP3.56
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-propan-2-yl-6-propoxypyrimidin-2-amine
CID 112636364
3-methoxy-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propan-1-ol
CID 114156370
4-methyl-N-(1-phenylpropyl)-6-propoxypyrimidin-2-amine
CID 115974921
1-N,1-N,4-trimethyl-2-N-(4-methyl-6-propoxypyrimidin-2-yl)pentane-1,2-diamine
CID 115974797
4-methyl-6-propoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-2-amine
CID 115974776
4-methyl-6-propoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-2-amine
CID 106282926
1-N,1-N,3-trimethyl-2-N-(4-methyl-6-propoxypyrimidin-2-yl)butane-1,2-diamine
CID 115974718
N-[1-(4-fluorophenyl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine
CID 115974734
1,1-dimethyl-2-(4-methyl-6-propoxypyrimidin-2-yl)hydrazine
CID 112638424
4-methoxy-6-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidin-2-amine
CID 115899319
4-methyl-N-prop-2-enyl-6-propoxypyrimidin-2-amine
CID 112637443
2-(hexan-3-ylamino)-6-methylpyrimidine-4-carbonitrile
CID 107544278

Frequently Asked Questions

What is the IUPAC name of N-hexan-3-yl-4-methyl-6-propoxypyrimidin-2-amine?
The IUPAC name of N-hexan-3-yl-4-methyl-6-propoxypyrimidin-2-amine (CID 112637434) is N-hexan-3-yl-4-methyl-6-propoxypyrimidin-2-amine.
What is the SMILES notation for N-hexan-3-yl-4-methyl-6-propoxypyrimidin-2-amine?
The canonical SMILES for N-hexan-3-yl-4-methyl-6-propoxypyrimidin-2-amine is CCCOc1cc(C)nc(NC(CC)CCC)n1.
What is the InChIKey of N-hexan-3-yl-4-methyl-6-propoxypyrimidin-2-amine?
The InChIKey is XRFCTFWCTBDANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-8-12(7-3)16-14-15-11(4)10-13(17-14)18-9-6-2/h10,12H,5-9H2,1-4H3,(H,15,16,17).
What are the key properties of N-hexan-3-yl-4-methyl-6-propoxypyrimidin-2-amine?
N-hexan-3-yl-4-methyl-6-propoxypyrimidin-2-amine has a molecular weight of 251.37 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-3-yl-4-methyl-6-propoxypyrimidin-2-amine is sourced from PubChem (CID 112637434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).