N-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine

C13H26N4 — CID 119112799

IUPACN-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCC(C)N1CCCC(CNC2=NCCCN2)C1
InChIInChI=1S/C13H26N4/c1-11(2)17-8-3-5-12(10-17)9-16-13-14-6-4-7-15-13/h11-12H,3-10H2,1-2H3,(H2,14,15,16)
InChIKeyGJYRKBMILXCMFN-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.05
Rot. Bonds3

About N-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine

N-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 119112799) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is N-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID119112799
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC NameN-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCC(C)N1CCCC(CNC2=NCCCN2)C1
InChIInChI=1S/C13H26N4/c1-11(2)17-8-3-5-12(10-17)9-16-13-14-6-4-7-15-13/h11-12H,3-10H2,1-2H3,(H2,14,15,16)
InChIKeyGJYRKBMILXCMFN-UHFFFAOYSA-N
XLogP1.05
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 119112798
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 115601208
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 119112567
N-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 111111455
N-[(1-propan-2-ylpiperidin-3-yl)methyl]cyclopropanamine
CID 62582229
N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110915291
N-[[(2S)-1-propylpyrrolidin-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 120967430
(3S)-3-(2,2-dimethylpropyl)-1-propan-2-ylpiperidine
CID 164786402
6-chloro-4-N-methyl-2-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80816997
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 61209300
3-oxo-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperazine-1-carboxamide
CID 127287267
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
CID 61253592

Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 119112799) is N-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine is CC(C)N1CCCC(CNC2=NCCCN2)C1.
What is the InChIKey of N-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is GJYRKBMILXCMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-11(2)17-8-3-5-12(10-17)9-16-13-14-6-4-7-15-13/h11-12H,3-10H2,1-2H3,(H2,14,15,16).
What are the key properties of N-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
N-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 238.38 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 119112799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).