1-pyrimidin-2-ylpiperidin-3-amine

C9H14N4 — CID 45075105

IUPAC1-pyrimidin-2-ylpiperidin-3-amine
SMILESNC1CCCN(c2ncccn2)C1
InChIInChI=1S/C9H14N4/c10-8-3-1-6-13(7-8)9-11-4-2-5-12-9/h2,4-5,8H,1,3,6-7,10H2
InChIKeyOPGDLXLANFEESO-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.40
Rot. Bonds1

About 1-pyrimidin-2-ylpiperidin-3-amine

1-pyrimidin-2-ylpiperidin-3-amine (PubChem CID 45075105) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 1-pyrimidin-2-ylpiperidin-3-amine.

Molecular Properties

Compound Name1-pyrimidin-2-ylpiperidin-3-amine
PubChem CID45075105
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name1-pyrimidin-2-ylpiperidin-3-amine
SMILESNC1CCCN(c2ncccn2)C1
InChIInChI=1S/C9H14N4/c10-8-3-1-6-13(7-8)9-11-4-2-5-12-9/h2,4-5,8H,1,3,6-7,10H2
InChIKeyOPGDLXLANFEESO-UHFFFAOYSA-N
XLogP0.40
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Pyrimidinyl)piperazine
CID 88747
N-(1-Methylethyl)-2-pyrimidinamine
CID 71169
1-(2-Pyrimidyl)piperazine hydrochloride
CID 2818457
N-cycloheptylpyrimidin-2-amine
CID 868191
4-(Cyclohexylamino)pyrimidine-2-carbonitrile
CID 16108884
8-Aza-5-azoniaspiro(4.5)decane, 8-(2-pyrimidinyl)-, bromide (1:1)
CID 657505
N-cyclohexylpyrimidin-2-amine
CID 21252719
2,2'-Bipyrimidine
CID 123444
2-Piperazinylpyrimidine dihydrochloride
CID 11680272
N-[1-(pyrimidin-2-yl)piperidin-4-yl]acetamide
CID 47208637
2-Pyrimidin-5-yl-2,5-diazabicyclo[2.2.1]heptane
CID 22573910
N1-(4-(azepan-1-yl)pyrimidin-2-yl)ethane-1,2-diamine
CID 10198583

Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-2-ylpiperidin-3-amine?
The IUPAC name of 1-pyrimidin-2-ylpiperidin-3-amine (CID 45075105) is 1-pyrimidin-2-ylpiperidin-3-amine.
What is the SMILES notation for 1-pyrimidin-2-ylpiperidin-3-amine?
The canonical SMILES for 1-pyrimidin-2-ylpiperidin-3-amine is NC1CCCN(c2ncccn2)C1.
What is the InChIKey of 1-pyrimidin-2-ylpiperidin-3-amine?
The InChIKey is OPGDLXLANFEESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c10-8-3-1-6-13(7-8)9-11-4-2-5-12-9/h2,4-5,8H,1,3,6-7,10H2.
What are the key properties of 1-pyrimidin-2-ylpiperidin-3-amine?
1-pyrimidin-2-ylpiperidin-3-amine has a molecular weight of 178.24 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-2-ylpiperidin-3-amine is sourced from PubChem (CID 45075105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).