N-hexan-3-ylpyrimidin-4-amine

C10H17N3 — CID 62117651

IUPACN-hexan-3-ylpyrimidin-4-amine
SMILESCCCC(CC)Nc1ccncn1
InChIInChI=1S/C10H17N3/c1-3-5-9(4-2)13-10-6-7-11-8-12-10/h6-9H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyGAWFNGWCCKZIMS-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.47
Rot. Bonds5

About N-hexan-3-ylpyrimidin-4-amine

N-hexan-3-ylpyrimidin-4-amine (PubChem CID 62117651) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N-hexan-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-hexan-3-ylpyrimidin-4-amine
PubChem CID62117651
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN-hexan-3-ylpyrimidin-4-amine
SMILESCCCC(CC)Nc1ccncn1
InChIInChI=1S/C10H17N3/c1-3-5-9(4-2)13-10-6-7-11-8-12-10/h6-9H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyGAWFNGWCCKZIMS-UHFFFAOYSA-N
XLogP2.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-hex-1-yn-3-ylpyrimidin-4-amine
CID 106231448
5-chloro-N-hexan-3-ylpyridin-2-amine
CID 62117278
N-(2-chloropentan-3-yl)pyrimidin-4-amine
CID 131162695
6-(hexan-3-ylamino)pyridine-3-carbonitrile
CID 62046801
N-(1-chloro-3-methoxypropan-2-yl)pyrimidin-4-amine
CID 106181660
4-N-hexan-3-yl-6-N-propylpyrimidine-4,6-diamine
CID 80817415
N-(4-chlorobutan-2-yl)pyrimidin-4-amine
CID 83187601
3-N-pyrimidin-4-ylbutane-1,3-diamine
CID 83178912
N-(3-ethyl-7-methylsulfanyloctan-4-yl)pyrimidin-4-amine
CID 90736918
2-N-hexan-3-yl-6-N-methylpyrazine-2,6-diamine
CID 80817416
ethane;N-ethylpyrimidin-4-amine
CID 167491074
N-hexan-3-yl-6-methylpyrazin-2-amine
CID 143718036

Frequently Asked Questions

What is the IUPAC name of N-hexan-3-ylpyrimidin-4-amine?
The IUPAC name of N-hexan-3-ylpyrimidin-4-amine (CID 62117651) is N-hexan-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-hexan-3-ylpyrimidin-4-amine?
The canonical SMILES for N-hexan-3-ylpyrimidin-4-amine is CCCC(CC)Nc1ccncn1.
What is the InChIKey of N-hexan-3-ylpyrimidin-4-amine?
The InChIKey is GAWFNGWCCKZIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-3-5-9(4-2)13-10-6-7-11-8-12-10/h6-9H,3-5H2,1-2H3,(H,11,12,13).
What are the key properties of N-hexan-3-ylpyrimidin-4-amine?
N-hexan-3-ylpyrimidin-4-amine has a molecular weight of 179.27 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-3-ylpyrimidin-4-amine is sourced from PubChem (CID 62117651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).