2-N,2-N,6-trimethyl-5-octylpyrimidine-2,4-diamine

C15H28N4 — CID 14011017

IUPAC2-N,2-N,6-trimethyl-5-octylpyrimidine-2,4-diamine
SMILESCCCCCCCCc1c(C)nc(N(C)C)nc1N
InChIInChI=1S/C15H28N4/c1-5-6-7-8-9-10-11-13-12(2)17-15(19(3)4)18-14(13)16/h5-11H2,1-4H3,(H2,16,17,18)
InChIKeyDIJSJWHVNVPXSD-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.34
Rot. Bonds8

About 2-N,2-N,6-trimethyl-5-octylpyrimidine-2,4-diamine

2-N,2-N,6-trimethyl-5-octylpyrimidine-2,4-diamine (PubChem CID 14011017) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 2-N,2-N,6-trimethyl-5-octylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,6-trimethyl-5-octylpyrimidine-2,4-diamine
PubChem CID14011017
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name2-N,2-N,6-trimethyl-5-octylpyrimidine-2,4-diamine
SMILESCCCCCCCCc1c(C)nc(N(C)C)nc1N
InChIInChI=1S/C15H28N4/c1-5-6-7-8-9-10-11-13-12(2)17-15(19(3)4)18-14(13)16/h5-11H2,1-4H3,(H2,16,17,18)
InChIKeyDIJSJWHVNVPXSD-UHFFFAOYSA-N
XLogP3.34
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.34
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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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,6-trimethyl-5-octylpyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N,6-trimethyl-5-octylpyrimidine-2,4-diamine (CID 14011017) is 2-N,2-N,6-trimethyl-5-octylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,6-trimethyl-5-octylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N,6-trimethyl-5-octylpyrimidine-2,4-diamine is CCCCCCCCc1c(C)nc(N(C)C)nc1N.
What is the InChIKey of 2-N,2-N,6-trimethyl-5-octylpyrimidine-2,4-diamine?
The InChIKey is DIJSJWHVNVPXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-5-6-7-8-9-10-11-13-12(2)17-15(19(3)4)18-14(13)16/h5-11H2,1-4H3,(H2,16,17,18).
What are the key properties of 2-N,2-N,6-trimethyl-5-octylpyrimidine-2,4-diamine?
2-N,2-N,6-trimethyl-5-octylpyrimidine-2,4-diamine has a molecular weight of 264.42 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,6-trimethyl-5-octylpyrimidine-2,4-diamine is sourced from PubChem (CID 14011017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).