3-N-[5-(1-methylpiperidin-4-yl)pyrimidin-2-yl]butane-1,3-diamine

C14H25N5 — CID 116974501

IUPAC3-N-[5-(1-methylpiperidin-4-yl)pyrimidin-2-yl]butane-1,3-diamine
SMILESCC(CCN)Nc1ncc(C2CCN(C)CC2)cn1
InChIInChI=1S/C14H25N5/c1-11(3-6-15)18-14-16-9-13(10-17-14)12-4-7-19(2)8-5-12/h9-12H,3-8,15H2,1-2H3,(H,16,17,18)
InChIKeyRVNYSJSJFLEWHY-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.43
Rot. Bonds5

About 3-N-[5-(1-methylpiperidin-4-yl)pyrimidin-2-yl]butane-1,3-diamine

3-N-[5-(1-methylpiperidin-4-yl)pyrimidin-2-yl]butane-1,3-diamine (PubChem CID 116974501) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 3-N-[5-(1-methylpiperidin-4-yl)pyrimidin-2-yl]butane-1,3-diamine.

Molecular Properties

Compound Name3-N-[5-(1-methylpiperidin-4-yl)pyrimidin-2-yl]butane-1,3-diamine
PubChem CID116974501
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name3-N-[5-(1-methylpiperidin-4-yl)pyrimidin-2-yl]butane-1,3-diamine
SMILESCC(CCN)Nc1ncc(C2CCN(C)CC2)cn1
InChIInChI=1S/C14H25N5/c1-11(3-6-15)18-14-16-9-13(10-17-14)12-4-7-19(2)8-5-12/h9-12H,3-8,15H2,1-2H3,(H,16,17,18)
InChIKeyRVNYSJSJFLEWHY-UHFFFAOYSA-N
XLogP1.43
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(azetidin-3-yl)-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine
CID 116974693
3-methyl-5-(1-methylpiperidin-4-yl)-2-propan-2-ylpyridine
CID 170588740
5-(1-methylpiperidin-4-yl)-N-(5-methyl-1-propan-2-ylpiperidin-3-yl)pyrimidin-2-amine
CID 155740022
5-cyclopentyl-N-propan-2-ylpyrimidin-2-amine
CID 116977251
2,3-dimethyl-5-(1-methylpiperidin-4-yl)pyridine
CID 158714513
1-N-[5-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propane-1,2-diamine
CID 116974333
3-[(5-cyclohexylpyrimidin-2-yl)amino]butanoic acid
CID 116975261
3-[5-(1-methylpiperidin-4-yl)-1H-imidazol-2-yl]propan-1-amine
CID 116876953
3-N-(5-cyclohexylpyrimidin-2-yl)-3-methylbutane-1,3-diamine
CID 116974590
[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 71778174
2-tert-butyl-5-(1-methylpiperidin-4-yl)pyridine
CID 122472514
2-[4-(1-methylpiperidin-4-yl)phenoxy]ethanamine
CID 115040366

Frequently Asked Questions

What is the IUPAC name of 3-N-[5-(1-methylpiperidin-4-yl)pyrimidin-2-yl]butane-1,3-diamine?
The IUPAC name of 3-N-[5-(1-methylpiperidin-4-yl)pyrimidin-2-yl]butane-1,3-diamine (CID 116974501) is 3-N-[5-(1-methylpiperidin-4-yl)pyrimidin-2-yl]butane-1,3-diamine.
What is the SMILES notation for 3-N-[5-(1-methylpiperidin-4-yl)pyrimidin-2-yl]butane-1,3-diamine?
The canonical SMILES for 3-N-[5-(1-methylpiperidin-4-yl)pyrimidin-2-yl]butane-1,3-diamine is CC(CCN)Nc1ncc(C2CCN(C)CC2)cn1.
What is the InChIKey of 3-N-[5-(1-methylpiperidin-4-yl)pyrimidin-2-yl]butane-1,3-diamine?
The InChIKey is RVNYSJSJFLEWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-11(3-6-15)18-14-16-9-13(10-17-14)12-4-7-19(2)8-5-12/h9-12H,3-8,15H2,1-2H3,(H,16,17,18).
What are the key properties of 3-N-[5-(1-methylpiperidin-4-yl)pyrimidin-2-yl]butane-1,3-diamine?
3-N-[5-(1-methylpiperidin-4-yl)pyrimidin-2-yl]butane-1,3-diamine has a molecular weight of 263.39 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[5-(1-methylpiperidin-4-yl)pyrimidin-2-yl]butane-1,3-diamine is sourced from PubChem (CID 116974501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).