6-heptoxy-5-propan-2-ylpyrimidin-4-amine

C14H25N3O — CID 80861295

IUPAC6-heptoxy-5-propan-2-ylpyrimidin-4-amine
SMILESCCCCCCCOc1ncnc(N)c1C(C)C
InChIInChI=1S/C14H25N3O/c1-4-5-6-7-8-9-18-14-12(11(2)3)13(15)16-10-17-14/h10-11H,4-9H2,1-3H3,(H2,15,16,17)
InChIKeyQPCKCEPRTXSCOS-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.53
Rot. Bonds8

About 6-heptoxy-5-propan-2-ylpyrimidin-4-amine

6-heptoxy-5-propan-2-ylpyrimidin-4-amine (PubChem CID 80861295) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 6-heptoxy-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-heptoxy-5-propan-2-ylpyrimidin-4-amine
PubChem CID80861295
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name6-heptoxy-5-propan-2-ylpyrimidin-4-amine
SMILESCCCCCCCOc1ncnc(N)c1C(C)C
InChIInChI=1S/C14H25N3O/c1-4-5-6-7-8-9-18-14-12(11(2)3)13(15)16-10-17-14/h10-11H,4-9H2,1-3H3,(H2,15,16,17)
InChIKeyQPCKCEPRTXSCOS-UHFFFAOYSA-N
XLogP3.53
TPSA61.03 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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-propan-2-yl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 82795274
5-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine
CID 82958852
5-propan-2-yl-6-prop-2-enoxypyrimidin-4-amine
CID 80868547
5-propan-2-yl-6-(4-propoxyphenoxy)pyrimidin-4-amine
CID 80874994
6-[(2-methylpropan-2-yl)oxy]-5-propan-2-ylpyrimidin-4-amine
CID 80861603
4-hexoxypyrimidin-5-amine
CID 79916301
5-methyl-6-propoxypyrimidin-4-amine
CID 80866562
4-N,4-N-diethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80767161
6-(4-bromophenoxy)-5-propan-2-ylpyrimidin-4-amine
CID 80863794
(5-ethyl-6-heptoxypyrimidin-4-yl)hydrazine
CID 80910142
4-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80770662
6-chloro-5-propan-2-ylpyrimidin-4-amine
CID 63728275

Frequently Asked Questions

What is the IUPAC name of 6-heptoxy-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-heptoxy-5-propan-2-ylpyrimidin-4-amine (CID 80861295) is 6-heptoxy-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-heptoxy-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-heptoxy-5-propan-2-ylpyrimidin-4-amine is CCCCCCCOc1ncnc(N)c1C(C)C.
What is the InChIKey of 6-heptoxy-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is QPCKCEPRTXSCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-5-6-7-8-9-18-14-12(11(2)3)13(15)16-10-17-14/h10-11H,4-9H2,1-3H3,(H2,15,16,17).
What are the key properties of 6-heptoxy-5-propan-2-ylpyrimidin-4-amine?
6-heptoxy-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 251.37 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-heptoxy-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80861295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).