2-N,2-N,4-N-trimethyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine

C12H21N5 — CID 64830287

IUPAC2-N,2-N,4-N-trimethyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine
SMILESCN(C)c1nccc(N(C)C2CCCNC2)n1
InChIInChI=1S/C12H21N5/c1-16(2)12-14-8-6-11(15-12)17(3)10-5-4-7-13-9-10/h6,8,10,13H,4-5,7,9H2,1-3H3
InChIKeyXBFQPSHBSHRNPA-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.73
Rot. Bonds3

About 2-N,2-N,4-N-trimethyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine

2-N,2-N,4-N-trimethyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine (PubChem CID 64830287) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-N,2-N,4-N-trimethyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,4-N-trimethyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine
PubChem CID64830287
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name2-N,2-N,4-N-trimethyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine
SMILESCN(C)c1nccc(N(C)C2CCCNC2)n1
InChIInChI=1S/C12H21N5/c1-16(2)12-14-8-6-11(15-12)17(3)10-5-4-7-13-9-10/h6,8,10,13H,4-5,7,9H2,1-3H3
InChIKeyXBFQPSHBSHRNPA-UHFFFAOYSA-N
XLogP0.73
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-N,2-N,4-N-trimethyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N-cyclobutyl-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 126857010
N-methyl-N-piperidin-3-ylquinolin-2-amine
CID 63642355
N,N-dimethyl-4-piperidin-3-ylpyrimidin-2-amine
CID 66509672
N,6-dimethyl-N-piperidin-3-ylpyridazin-3-amine
CID 63643935
4-N-(azetidin-3-yl)-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 66183488
N,N-dimethyl-4-[[(3S)-piperidin-3-yl]methyl]pyrimidin-2-amine
CID 86336453
N-methyl-N-piperidin-3-ylpyridin-3-amine
CID 83698004
6-chloro-N-methyl-N-piperidin-3-ylpyridazin-3-amine
CID 63642703
N-(azetidin-3-yl)-N,2-dimethylpyrimidin-4-amine
CID 66182049
6-ethoxy-N-methyl-N-piperidin-3-ylpyrimidin-4-amine
CID 66319466
N-cyclobutyl-N,2-dimethylpyrimidin-4-amine
CID 126855791
2-N,2-N,4-N-trimethyl-4-N-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine
CID 175651595

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N-trimethyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N,4-N-trimethyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine (CID 64830287) is 2-N,2-N,4-N-trimethyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,4-N-trimethyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N,4-N-trimethyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine is CN(C)c1nccc(N(C)C2CCCNC2)n1.
What is the InChIKey of 2-N,2-N,4-N-trimethyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine?
The InChIKey is XBFQPSHBSHRNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-16(2)12-14-8-6-11(15-12)17(3)10-5-4-7-13-9-10/h6,8,10,13H,4-5,7,9H2,1-3H3.
What are the key properties of 2-N,2-N,4-N-trimethyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine?
2-N,2-N,4-N-trimethyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine has a molecular weight of 235.33 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N-trimethyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 64830287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).