N-pentyl-1,2,3,4-tetrahydropyrimidin-2-amine

C9H19N3 — CID 70631026

IUPACN-pentyl-1,2,3,4-tetrahydropyrimidin-2-amine
SMILESCCCCCNC1NC=CCN1
InChIInChI=1S/C9H19N3/c1-2-3-4-6-10-9-11-7-5-8-12-9/h5,7,9-12H,2-4,6,8H2,1H3
InChIKeyUUGWUBCXTXFLPH-UHFFFAOYSA-N
MW169.27 g/mol
LogP0.76
Rot. Bonds5

About N-pentyl-1,2,3,4-tetrahydropyrimidin-2-amine

N-pentyl-1,2,3,4-tetrahydropyrimidin-2-amine (PubChem CID 70631026) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is N-pentyl-1,2,3,4-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-pentyl-1,2,3,4-tetrahydropyrimidin-2-amine
PubChem CID70631026
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC NameN-pentyl-1,2,3,4-tetrahydropyrimidin-2-amine
SMILESCCCCCNC1NC=CCN1
InChIInChI=1S/C9H19N3/c1-2-3-4-6-10-9-11-7-5-8-12-9/h5,7,9-12H,2-4,6,8H2,1H3
InChIKeyUUGWUBCXTXFLPH-UHFFFAOYSA-N
XLogP0.76
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 N-pentyl-1,2,3,4-tetrahydropyrimidin-2-amine?
The IUPAC name of N-pentyl-1,2,3,4-tetrahydropyrimidin-2-amine (CID 70631026) is N-pentyl-1,2,3,4-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-pentyl-1,2,3,4-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-pentyl-1,2,3,4-tetrahydropyrimidin-2-amine is CCCCCNC1NC=CCN1.
What is the InChIKey of N-pentyl-1,2,3,4-tetrahydropyrimidin-2-amine?
The InChIKey is UUGWUBCXTXFLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-2-3-4-6-10-9-11-7-5-8-12-9/h5,7,9-12H,2-4,6,8H2,1H3.
What are the key properties of N-pentyl-1,2,3,4-tetrahydropyrimidin-2-amine?
N-pentyl-1,2,3,4-tetrahydropyrimidin-2-amine has a molecular weight of 169.27 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-1,2,3,4-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 70631026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).