4-N-[(1-methylpiperidin-3-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine

C14H21N7 — CID 133454574

IUPAC4-N-[(1-methylpiperidin-3-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine
SMILESCN1CCCC(CNc2ncnc(-n3cccn3)c2N)C1
InChIInChI=1S/C14H21N7/c1-20-6-2-4-11(9-20)8-16-13-12(15)14(18-10-17-13)21-7-3-5-19-21/h3,5,7,10-11H,2,4,6,8-9,15H2,1H3,(H,16,17,18)
InChIKeyNCUCRUXLPJXYHE-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.00
Rot. Bonds4

About 4-N-[(1-methylpiperidin-3-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine

4-N-[(1-methylpiperidin-3-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine (PubChem CID 133454574) has the molecular formula C14H21N7 and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-N-[(1-methylpiperidin-3-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-[(1-methylpiperidin-3-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine
PubChem CID133454574
Molecular FormulaC14H21N7
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC Name4-N-[(1-methylpiperidin-3-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine
SMILESCN1CCCC(CNc2ncnc(-n3cccn3)c2N)C1
InChIInChI=1S/C14H21N7/c1-20-6-2-4-11(9-20)8-16-13-12(15)14(18-10-17-13)21-7-3-5-19-21/h3,5,7,10-11H,2,4,6,8-9,15H2,1H3,(H,16,17,18)
InChIKeyNCUCRUXLPJXYHE-UHFFFAOYSA-N
XLogP1.00
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-(1,3-dicyclopentylpropan-2-yl)-6-pyrazol-1-ylpyrimidine-4,5-diamine
CID 166340199
[1-(5-amino-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 133366202
4-(4-methylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidin-5-amine
CID 133365798
4-N-(dicyclopropylmethyl)-6-pyrazol-1-ylpyrimidine-4,5-diamine
CID 71850434
5-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine
CID 105369328
1-methyl-3-[(1-methylpiperidin-3-yl)methylamino]pyrazin-2-one
CID 55133105
4-N-[2-[ethyl(methyl)amino]ethyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine
CID 75442123
4-N-[(1-methylsulfinylcyclopropyl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine
CID 146091416
5-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine
CID 66279532
3-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,5-diamine
CID 55080788
4-[(5-amino-6-pyrazol-1-ylpyrimidin-4-yl)amino]butanoic acid
CID 122058549
1-(1-methylpiperidin-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]methanamine
CID 62658500

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1-methylpiperidin-3-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-[(1-methylpiperidin-3-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine (CID 133454574) is 4-N-[(1-methylpiperidin-3-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-[(1-methylpiperidin-3-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-[(1-methylpiperidin-3-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine is CN1CCCC(CNc2ncnc(-n3cccn3)c2N)C1.
What is the InChIKey of 4-N-[(1-methylpiperidin-3-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine?
The InChIKey is NCUCRUXLPJXYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7/c1-20-6-2-4-11(9-20)8-16-13-12(15)14(18-10-17-13)21-7-3-5-19-21/h3,5,7,10-11H,2,4,6,8-9,15H2,1H3,(H,16,17,18).
What are the key properties of 4-N-[(1-methylpiperidin-3-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine?
4-N-[(1-methylpiperidin-3-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine has a molecular weight of 287.37 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1-methylpiperidin-3-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine is sourced from PubChem (CID 133454574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).