N-(1-methylpiperidin-3-yl)-1,4-dihydropyrimidin-4-amine

C10H18N4 — CID 173471221

IUPACN-(1-methylpiperidin-3-yl)-1,4-dihydropyrimidin-4-amine
SMILESCN1CCCC(NC2C=CNC=N2)C1
InChIInChI=1S/C10H18N4/c1-14-6-2-3-9(7-14)13-10-4-5-11-8-12-10/h4-5,8-10,13H,2-3,6-7H2,1H3,(H,11,12)
InChIKeyTVBFBFMZTGAUPE-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.14
Rot. Bonds2

About N-(1-methylpiperidin-3-yl)-1,4-dihydropyrimidin-4-amine

N-(1-methylpiperidin-3-yl)-1,4-dihydropyrimidin-4-amine (PubChem CID 173471221) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is N-(1-methylpiperidin-3-yl)-1,4-dihydropyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-methylpiperidin-3-yl)-1,4-dihydropyrimidin-4-amine
PubChem CID173471221
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC NameN-(1-methylpiperidin-3-yl)-1,4-dihydropyrimidin-4-amine
SMILESCN1CCCC(NC2C=CNC=N2)C1
InChIInChI=1S/C10H18N4/c1-14-6-2-3-9(7-14)13-10-4-5-11-8-12-10/h4-5,8-10,13H,2-3,6-7H2,1H3,(H,11,12)
InChIKeyTVBFBFMZTGAUPE-UHFFFAOYSA-N
XLogP0.14
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-3-yl)-1,4-dihydropyrimidin-4-amine?
The IUPAC name of N-(1-methylpiperidin-3-yl)-1,4-dihydropyrimidin-4-amine (CID 173471221) is N-(1-methylpiperidin-3-yl)-1,4-dihydropyrimidin-4-amine.
What is the SMILES notation for N-(1-methylpiperidin-3-yl)-1,4-dihydropyrimidin-4-amine?
The canonical SMILES for N-(1-methylpiperidin-3-yl)-1,4-dihydropyrimidin-4-amine is CN1CCCC(NC2C=CNC=N2)C1.
What is the InChIKey of N-(1-methylpiperidin-3-yl)-1,4-dihydropyrimidin-4-amine?
The InChIKey is TVBFBFMZTGAUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-14-6-2-3-9(7-14)13-10-4-5-11-8-12-10/h4-5,8-10,13H,2-3,6-7H2,1H3,(H,11,12).
What are the key properties of N-(1-methylpiperidin-3-yl)-1,4-dihydropyrimidin-4-amine?
N-(1-methylpiperidin-3-yl)-1,4-dihydropyrimidin-4-amine has a molecular weight of 194.28 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-3-yl)-1,4-dihydropyrimidin-4-amine is sourced from PubChem (CID 173471221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).