N-[[(2S)-1-propylpyrrolidin-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine

C12H24N4 — CID 120967430

IUPACN-[[(2S)-1-propylpyrrolidin-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCCCN1CCC[C@H]1CNC1=NCCCN1
InChIInChI=1S/C12H24N4/c1-2-8-16-9-3-5-11(16)10-15-12-13-6-4-7-14-12/h11H,2-10H2,1H3,(H2,13,14,15)/t11-/m0/s1
InChIKeyMXTMCYNOTZGRLT-NSHDSACASA-N
MW224.35 g/mol
LogP0.80
Rot. Bonds4

About N-[[(2S)-1-propylpyrrolidin-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine

N-[[(2S)-1-propylpyrrolidin-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 120967430) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is N-[[(2S)-1-propylpyrrolidin-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[[(2S)-1-propylpyrrolidin-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID120967430
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC NameN-[[(2S)-1-propylpyrrolidin-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCCCN1CCC[C@H]1CNC1=NCCCN1
InChIInChI=1S/C12H24N4/c1-2-8-16-9-3-5-11(16)10-15-12-13-6-4-7-14-12/h11H,2-10H2,1H3,(H2,13,14,15)/t11-/m0/s1
InChIKeyMXTMCYNOTZGRLT-NSHDSACASA-N
XLogP0.80
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 111111455
N-[(1-benzylpyrrolidin-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 111337607
N-[3-(2-methylpiperidin-1-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110914239
N-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 119112799
N-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 119112798
N-[(1-propylpyrrolidin-2-yl)methyl]propan-2-amine
CID 62579817
N-[(1-ethylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 78909269
N-[2-(4-methylpiperidin-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110915612
4-(azepan-1-yl)-N-[(1-propylpyrrolidin-2-yl)methyl]pyrimidin-2-amine
CID 66903623
2-ethyl-1-propylpyrrolidine;hydrochloride
CID 175875106
2,6-dimethyl-N-[(1-propylpiperidin-2-yl)methyl]aniline
CID 129171229
N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110925548

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-propylpyrrolidin-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-[[(2S)-1-propylpyrrolidin-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 120967430) is N-[[(2S)-1-propylpyrrolidin-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-[[(2S)-1-propylpyrrolidin-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-[[(2S)-1-propylpyrrolidin-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine is CCCN1CCC[C@H]1CNC1=NCCCN1.
What is the InChIKey of N-[[(2S)-1-propylpyrrolidin-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is MXTMCYNOTZGRLT-NSHDSACASA-N. The full InChI is InChI=1S/C12H24N4/c1-2-8-16-9-3-5-11(16)10-15-12-13-6-4-7-14-12/h11H,2-10H2,1H3,(H2,13,14,15)/t11-/m0/s1.
What are the key properties of N-[[(2S)-1-propylpyrrolidin-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
N-[[(2S)-1-propylpyrrolidin-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 224.35 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-propylpyrrolidin-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 120967430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).