4-[[(4-methylpyrimidin-2-yl)amino]methyl]piperidine-1-carboxylic acid

C12H18N4O2 — CID 22135686

IUPAC4-[[(4-methylpyrimidin-2-yl)amino]methyl]piperidine-1-carboxylic acid
SMILESCc1ccnc(NCC2CCN(C(=O)O)CC2)n1
InChIInChI=1S/C12H18N4O2/c1-9-2-5-13-11(15-9)14-8-10-3-6-16(7-4-10)12(17)18/h2,5,10H,3-4,6-8H2,1H3,(H,17,18)(H,13,14,15)
InChIKeyIYPMHCNNDSVRFK-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.59
Rot. Bonds3

About 4-[[(4-methylpyrimidin-2-yl)amino]methyl]piperidine-1-carboxylic acid

4-[[(4-methylpyrimidin-2-yl)amino]methyl]piperidine-1-carboxylic acid (PubChem CID 22135686) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-[[(4-methylpyrimidin-2-yl)amino]methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(4-methylpyrimidin-2-yl)amino]methyl]piperidine-1-carboxylic acid
PubChem CID22135686
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name4-[[(4-methylpyrimidin-2-yl)amino]methyl]piperidine-1-carboxylic acid
SMILESCc1ccnc(NCC2CCN(C(=O)O)CC2)n1
InChIInChI=1S/C12H18N4O2/c1-9-2-5-13-11(15-9)14-8-10-3-6-16(7-4-10)12(17)18/h2,5,10H,3-4,6-8H2,1H3,(H,17,18)(H,13,14,15)
InChIKeyIYPMHCNNDSVRFK-UHFFFAOYSA-N
XLogP1.59
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3R)-3-[[(4-methylpyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate
CID 95732016
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methylpyrimidin-2-amine
CID 62959994
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-4-methylpyrimidin-2-amine
CID 133309903
2-[(1-methylpyrrolidin-3-yl)methylamino]pyrimidine-4-carboxylic acid
CID 107553329
1,2,2-trimethyl-5-[[(4-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
CID 123935527
4-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine
CID 72862236
4-[(1,3,4-thiadiazol-2-ylamino)methyl]piperidine-1-carboxylic acid
CID 90746777
2-[(4-methylpyrimidin-2-yl)amino]-1-piperazin-1-ylethanone
CID 62958222
tert-butyl (3R)-3-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 97176279
4-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]piperidine-1-carboxylic acid
CID 22135613
1-(4-hydroxypiperidin-1-yl)-3-[(4-methylpyrimidin-2-yl)amino]-2-(oxan-4-yl)propan-1-one
CID 167920713
4-[[(2-methylsulfonylpyrimidine-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid
CID 90775535

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-methylpyrimidin-2-yl)amino]methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[(4-methylpyrimidin-2-yl)amino]methyl]piperidine-1-carboxylic acid (CID 22135686) is 4-[[(4-methylpyrimidin-2-yl)amino]methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[(4-methylpyrimidin-2-yl)amino]methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[(4-methylpyrimidin-2-yl)amino]methyl]piperidine-1-carboxylic acid is Cc1ccnc(NCC2CCN(C(=O)O)CC2)n1.
What is the InChIKey of 4-[[(4-methylpyrimidin-2-yl)amino]methyl]piperidine-1-carboxylic acid?
The InChIKey is IYPMHCNNDSVRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-9-2-5-13-11(15-9)14-8-10-3-6-16(7-4-10)12(17)18/h2,5,10H,3-4,6-8H2,1H3,(H,17,18)(H,13,14,15).
What are the key properties of 4-[[(4-methylpyrimidin-2-yl)amino]methyl]piperidine-1-carboxylic acid?
4-[[(4-methylpyrimidin-2-yl)amino]methyl]piperidine-1-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-methylpyrimidin-2-yl)amino]methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 22135686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).