5-heptan-2-ylpyrimidine-2,4-diamine

C11H20N4 — CID 175944646

IUPAC5-heptan-2-ylpyrimidine-2,4-diamine
SMILESCCCCCC(C)c1cnc(N)nc1N
InChIInChI=1S/C11H20N4/c1-3-4-5-6-8(2)9-7-14-11(13)15-10(9)12/h7-8H,3-6H2,1-2H3,(H4,12,13,14,15)
InChIKeySZRZJIINNNYTIB-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.32
Rot. Bonds5

About 5-heptan-2-ylpyrimidine-2,4-diamine

5-heptan-2-ylpyrimidine-2,4-diamine (PubChem CID 175944646) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 5-heptan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-heptan-2-ylpyrimidine-2,4-diamine
PubChem CID175944646
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name5-heptan-2-ylpyrimidine-2,4-diamine
SMILESCCCCCC(C)c1cnc(N)nc1N
InChIInChI=1S/C11H20N4/c1-3-4-5-6-8(2)9-7-14-11(13)15-10(9)12/h7-8H,3-6H2,1-2H3,(H4,12,13,14,15)
InChIKeySZRZJIINNNYTIB-UHFFFAOYSA-N
XLogP2.32
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-hexylpyrimidine-2,4-diamine
CID 23086565
2-amino-N-methyl-4-octan-2-ylpyrimidine-5-carboxamide
CID 175874381
5-amino-4-octan-2-ylpyrazole-1-carboxamide
CID 167102492
2-carbamoyl-5-heptan-2-ylpyrimidine-4-carboxylic acid
CID 175557199
4-N-heptan-2-ylpyrimidine-2,4-diamine
CID 80803742
5-(1-pyrimidin-5-ylethyl)pyrimidine-2,4-diamine
CID 174718912
5-methyl-3-pentan-2-ylpyridin-2-amine
CID 107887874
4-docosan-2-ylaniline
CID 22757336
1-methyl-2-octan-2-ylbenzene
CID 86190056
1-methyl-2-tetradecan-2-ylbenzene
CID 54096578
1-bromo-2-heptan-2-ylbenzene
CID 59216916
7-octan-2-yl-1-benzothiophene
CID 170009211

Frequently Asked Questions

What is the IUPAC name of 5-heptan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 5-heptan-2-ylpyrimidine-2,4-diamine (CID 175944646) is 5-heptan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-heptan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 5-heptan-2-ylpyrimidine-2,4-diamine is CCCCCC(C)c1cnc(N)nc1N.
What is the InChIKey of 5-heptan-2-ylpyrimidine-2,4-diamine?
The InChIKey is SZRZJIINNNYTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-3-4-5-6-8(2)9-7-14-11(13)15-10(9)12/h7-8H,3-6H2,1-2H3,(H4,12,13,14,15).
What are the key properties of 5-heptan-2-ylpyrimidine-2,4-diamine?
5-heptan-2-ylpyrimidine-2,4-diamine has a molecular weight of 208.31 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 175944646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).