N-[3-(2-methylpiperidin-1-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine

C13H26N4 — CID 110914239

IUPACN-[3-(2-methylpiperidin-1-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCC1CCCCN1CCCNC1=NCCCN1
InChIInChI=1S/C13H26N4/c1-12-6-2-3-10-17(12)11-5-9-16-13-14-7-4-8-15-13/h12H,2-11H2,1H3,(H2,14,15,16)
InChIKeyFAQHFKDWWBUCNV-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.19
Rot. Bonds4

About N-[3-(2-methylpiperidin-1-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine

N-[3-(2-methylpiperidin-1-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 110914239) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is N-[3-(2-methylpiperidin-1-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-(2-methylpiperidin-1-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID110914239
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC NameN-[3-(2-methylpiperidin-1-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCC1CCCCN1CCCNC1=NCCCN1
InChIInChI=1S/C13H26N4/c1-12-6-2-3-10-17(12)11-5-9-16-13-14-7-4-8-15-13/h12H,2-11H2,1H3,(H2,14,15,16)
InChIKeyFAQHFKDWWBUCNV-UHFFFAOYSA-N
XLogP1.19
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.19
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

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110915833
N-(4-cyclopentylbutyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 111465883
N-[[(2S)-1-propylpyrrolidin-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 120967430
N-[3-(2-methylpiperidin-1-yl)propyl]pyridazin-3-amine
CID 62483663
5,6-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1,2,4-triazin-3-amine
CID 114448150
4-N,4-N-dimethyl-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-2,4-diamine
CID 133383415
N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexanamine
CID 43178283
N-[3-(2-methylpiperidin-1-yl)propyl]-1,2,4-thiadiazol-5-amine
CID 65271137
4-chloro-6-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3,5-triazin-2-amine
CID 62857307
3-N-methyl-5-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3,5-diamine
CID 104532661
6-N,2-dimethyl-4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-4,6-diamine
CID 80785894
3-(2-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 43193223

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpiperidin-1-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-[3-(2-methylpiperidin-1-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 110914239) is N-[3-(2-methylpiperidin-1-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-[3-(2-methylpiperidin-1-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-[3-(2-methylpiperidin-1-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine is CC1CCCCN1CCCNC1=NCCCN1.
What is the InChIKey of N-[3-(2-methylpiperidin-1-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is FAQHFKDWWBUCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-12-6-2-3-10-17(12)11-5-9-16-13-14-7-4-8-15-13/h12H,2-11H2,1H3,(H2,14,15,16).
What are the key properties of N-[3-(2-methylpiperidin-1-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
N-[3-(2-methylpiperidin-1-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 238.38 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpiperidin-1-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 110914239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).