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

C13H23N5 — CID 116974333

IUPAC1-N-[5-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propane-1,2-diamine
SMILESCC(N)CNc1ncc(C2CCCN(C)C2)cn1
InChIInChI=1S/C13H23N5/c1-10(14)6-15-13-16-7-12(8-17-13)11-4-3-5-18(2)9-11/h7-8,10-11H,3-6,9,14H2,1-2H3,(H,15,16,17)
InChIKeyMBLWXMRVTSKZNX-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.04
Rot. Bonds4

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

1-N-[5-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propane-1,2-diamine (PubChem CID 116974333) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-N-[5-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-[5-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propane-1,2-diamine
PubChem CID116974333
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name1-N-[5-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propane-1,2-diamine
SMILESCC(N)CNc1ncc(C2CCCN(C)C2)cn1
InChIInChI=1S/C13H23N5/c1-10(14)6-15-13-16-7-12(8-17-13)11-4-3-5-18(2)9-11/h7-8,10-11H,3-6,9,14H2,1-2H3,(H,15,16,17)
InChIKeyMBLWXMRVTSKZNX-UHFFFAOYSA-N
XLogP1.04
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]propan-2-amine
CID 116876745
5-(1-methylpiperidin-3-yl)pyridin-3-amine
CID 115018770
2-methyl-N'-[6-(1-methylpiperidin-3-yl)pyridazin-3-yl]propane-1,3-diamine
CID 116970815
1-N-(5-ethylpyrimidin-2-yl)propane-1,2-diamine
CID 116974283
3-N-[5-(1-methylpiperidin-4-yl)pyrimidin-2-yl]butane-1,3-diamine
CID 116974501
3-[4-(1-methylpiperidin-3-yl)phenyl]cyclobutan-1-amine
CID 116988194
3-(1-methylpiperidin-3-yl)pyridine
CID 118883076
5-(1-methylpiperidin-3-yl)pyridine-3-carboxylic acid
CID 115032031
5-chloro-3-(1-methylpiperidin-3-yl)pyridazine
CID 117105599
2-amino-3-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]propanoic acid
CID 116881783
5-cyclopentyl-N-propan-2-ylpyrimidin-2-amine
CID 116977251
1-[4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 116884662

Frequently Asked Questions

What is the IUPAC name of 1-N-[5-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propane-1,2-diamine?
The IUPAC name of 1-N-[5-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propane-1,2-diamine (CID 116974333) is 1-N-[5-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propane-1,2-diamine.
What is the SMILES notation for 1-N-[5-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propane-1,2-diamine?
The canonical SMILES for 1-N-[5-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propane-1,2-diamine is CC(N)CNc1ncc(C2CCCN(C)C2)cn1.
What is the InChIKey of 1-N-[5-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propane-1,2-diamine?
The InChIKey is MBLWXMRVTSKZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-10(14)6-15-13-16-7-12(8-17-13)11-4-3-5-18(2)9-11/h7-8,10-11H,3-6,9,14H2,1-2H3,(H,15,16,17).
What are the key properties of 1-N-[5-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propane-1,2-diamine?
1-N-[5-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propane-1,2-diamine has a molecular weight of 249.36 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[5-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propane-1,2-diamine is sourced from PubChem (CID 116974333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).