N-ethyl-6-heptoxy-2-propylpyrimidin-4-amine

C16H29N3O — CID 80950198

IUPACN-ethyl-6-heptoxy-2-propylpyrimidin-4-amine
SMILESCCCCCCCOc1cc(NCC)nc(CCC)n1
InChIInChI=1S/C16H29N3O/c1-4-7-8-9-10-12-20-16-13-15(17-6-3)18-14(19-16)11-5-2/h13H,4-12H2,1-3H3,(H,17,18,19)
InChIKeyREDQSRCAXXCGOO-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.21
Rot. Bonds11

About N-ethyl-6-heptoxy-2-propylpyrimidin-4-amine

N-ethyl-6-heptoxy-2-propylpyrimidin-4-amine (PubChem CID 80950198) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-ethyl-6-heptoxy-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-heptoxy-2-propylpyrimidin-4-amine
PubChem CID80950198
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-ethyl-6-heptoxy-2-propylpyrimidin-4-amine
SMILESCCCCCCCOc1cc(NCC)nc(CCC)n1
InChIInChI=1S/C16H29N3O/c1-4-7-8-9-10-12-20-16-13-15(17-6-3)18-14(19-16)11-5-2/h13H,4-12H2,1-3H3,(H,17,18,19)
InChIKeyREDQSRCAXXCGOO-UHFFFAOYSA-N
XLogP4.21
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.21
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

N-ethyl-6-hexoxy-2-propylpyrimidin-4-amine
CID 80950123
6-butoxy-N-hexyl-2-propylpyrimidin-4-amine
CID 82454392
6-butoxy-N-(3-methoxypropyl)-2-propylpyrimidin-4-amine
CID 82454415
6-butoxy-N-ethyl-2-(2-methylpropyl)pyrimidin-4-amine
CID 82458095
N-ethyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine
CID 80949979
6-hexoxy-2-propylpyrimidin-4-amine
CID 80949907
4-chloro-6-pentoxy-2-propylpyrimidine
CID 80939155
N-butan-2-yl-6-butoxy-2-propylpyrimidin-4-amine
CID 82454405
N-ethyl-6-pentoxy-2-phenylpyrimidin-4-amine
CID 115915870
N-ethyl-6-(2-methoxyphenoxy)-2-propylpyrimidin-4-amine
CID 80944699
6-[3-(dimethylamino)propoxy]-N,2-diethylpyrimidin-4-amine
CID 80941359
6-(2-methoxyethoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 80949765

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-heptoxy-2-propylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-heptoxy-2-propylpyrimidin-4-amine (CID 80950198) is N-ethyl-6-heptoxy-2-propylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-heptoxy-2-propylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-heptoxy-2-propylpyrimidin-4-amine is CCCCCCCOc1cc(NCC)nc(CCC)n1.
What is the InChIKey of N-ethyl-6-heptoxy-2-propylpyrimidin-4-amine?
The InChIKey is REDQSRCAXXCGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-4-7-8-9-10-12-20-16-13-15(17-6-3)18-14(19-16)11-5-2/h13H,4-12H2,1-3H3,(H,17,18,19).
What are the key properties of N-ethyl-6-heptoxy-2-propylpyrimidin-4-amine?
N-ethyl-6-heptoxy-2-propylpyrimidin-4-amine has a molecular weight of 279.43 g/mol, XLogP of 4.21, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-heptoxy-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80950198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).