1-hexyl-2H-pyrimidin-2-amine

C10H19N3 — CID 139612863

IUPAC1-hexyl-2H-pyrimidin-2-amine
SMILESCCCCCCN1C=CC=NC1N
InChIInChI=1S/C10H19N3/c1-2-3-4-5-8-13-9-6-7-12-10(13)11/h6-7,9-10H,2-5,8,11H2,1H3
InChIKeyYQPQPSUURRFTAP-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.71
Rot. Bonds5

About 1-hexyl-2H-pyrimidin-2-amine

1-hexyl-2H-pyrimidin-2-amine (PubChem CID 139612863) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-hexyl-2H-pyrimidin-2-amine.

Molecular Properties

Compound Name1-hexyl-2H-pyrimidin-2-amine
PubChem CID139612863
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name1-hexyl-2H-pyrimidin-2-amine
SMILESCCCCCCN1C=CC=NC1N
InChIInChI=1S/C10H19N3/c1-2-3-4-5-8-13-9-6-7-12-10(13)11/h6-7,9-10H,2-5,8,11H2,1H3
InChIKeyYQPQPSUURRFTAP-UHFFFAOYSA-N
XLogP1.71
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Pyrimidine, 1-heptyl-1,2-dihydro-2-imino-
CID 171383862
N-cetyl pyrimidine
CID 139947921
N,N-dihexanyl-1-amino-3-iminopropene
CID 129725171
1-butyl-3-methyl-2H-pyrimidin-3-ium
CID 17865359
1-hexyl-2H-pyrimidine
CID 18408618
2-Pentyl-1,2-dihydropyrimidine
CID 19003890
1-butyl-2H-pyrimidine
CID 57321656
1-pentyl-2H-pyrimidine
CID 66587415
1,2-dipentyl-2H-pyrimidine
CID 66633153
1-hexyl-3-propyl-2H-pyrimidin-3-ium
CID 66763799
1-hexan-2-yl-2H-pyrimidine
CID 67860366
1-methyl-3-octyl-2H-pyrimidin-1-ium
CID 68980140

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-2H-pyrimidin-2-amine?
The IUPAC name of 1-hexyl-2H-pyrimidin-2-amine (CID 139612863) is 1-hexyl-2H-pyrimidin-2-amine.
What is the SMILES notation for 1-hexyl-2H-pyrimidin-2-amine?
The canonical SMILES for 1-hexyl-2H-pyrimidin-2-amine is CCCCCCN1C=CC=NC1N.
What is the InChIKey of 1-hexyl-2H-pyrimidin-2-amine?
The InChIKey is YQPQPSUURRFTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-2-3-4-5-8-13-9-6-7-12-10(13)11/h6-7,9-10H,2-5,8,11H2,1H3.
What are the key properties of 1-hexyl-2H-pyrimidin-2-amine?
1-hexyl-2H-pyrimidin-2-amine has a molecular weight of 181.28 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-2H-pyrimidin-2-amine is sourced from PubChem (CID 139612863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).