6-heptan-3-yl-1,2-dihydropyrimidin-2-amine

C11H21N3 — CID 175855411

IUPAC6-heptan-3-yl-1,2-dihydropyrimidin-2-amine
SMILESCCCCC(CC)C1=CC=NC(N)N1
InChIInChI=1S/C11H21N3/c1-3-5-6-9(4-2)10-7-8-13-11(12)14-10/h7-9,11,14H,3-6,12H2,1-2H3
InChIKeyGQHWMPGQKHEOFT-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.00
Rot. Bonds5

About 6-heptan-3-yl-1,2-dihydropyrimidin-2-amine

6-heptan-3-yl-1,2-dihydropyrimidin-2-amine (PubChem CID 175855411) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 6-heptan-3-yl-1,2-dihydropyrimidin-2-amine.

Molecular Properties

Compound Name6-heptan-3-yl-1,2-dihydropyrimidin-2-amine
PubChem CID175855411
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name6-heptan-3-yl-1,2-dihydropyrimidin-2-amine
SMILESCCCCC(CC)C1=CC=NC(N)N1
InChIInChI=1S/C11H21N3/c1-3-5-6-9(4-2)10-7-8-13-11(12)14-10/h7-9,11,14H,3-6,12H2,1-2H3
InChIKeyGQHWMPGQKHEOFT-UHFFFAOYSA-N
XLogP2.00
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-heptan-3-yl-1,2-dihydropyrimidin-2-amine?
The IUPAC name of 6-heptan-3-yl-1,2-dihydropyrimidin-2-amine (CID 175855411) is 6-heptan-3-yl-1,2-dihydropyrimidin-2-amine.
What is the SMILES notation for 6-heptan-3-yl-1,2-dihydropyrimidin-2-amine?
The canonical SMILES for 6-heptan-3-yl-1,2-dihydropyrimidin-2-amine is CCCCC(CC)C1=CC=NC(N)N1.
What is the InChIKey of 6-heptan-3-yl-1,2-dihydropyrimidin-2-amine?
The InChIKey is GQHWMPGQKHEOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-3-5-6-9(4-2)10-7-8-13-11(12)14-10/h7-9,11,14H,3-6,12H2,1-2H3.
What are the key properties of 6-heptan-3-yl-1,2-dihydropyrimidin-2-amine?
6-heptan-3-yl-1,2-dihydropyrimidin-2-amine has a molecular weight of 195.31 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-heptan-3-yl-1,2-dihydropyrimidin-2-amine is sourced from PubChem (CID 175855411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).