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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Related Compounds

3-piperidin-4-yl-4H-pyrimidin-2-amine
CID 56977113
3-(piperazin-1-ylmethyl)-4H-pyrimidine
CID 90821929
4-Piperazin-1-yl-1,4-dihydropyrimidine
CID 91011480
N-methyl-N-piperidin-4-yl-N'-[(E)-prop-1-enyl]methanimidamide
CID 118489955
N-[(E)-1-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(methylamino)prop-1-enyl]-N'-methylmethanimidamide
CID 118973028
Ethane;2-piperidin-1-yl-1,4-dihydropyrimidine
CID 142973101
3-methyl-2-piperazin-1-yl-4H-pyrimidine
CID 143573084
N'-ethenyl-4-(methylamino)-N-methylidenepiperidine-1-carboximidamide
CID 144519605
2,2-dimethyl-N-methylidene-N'-[(Z)-prop-1-enyl]piperazine-1-carboximidamide
CID 144745253
1-(3-methyl-4H-pyrimidin-2-yl)piperidin-4-amine
CID 145307839
4-(3-piperazin-1-ylpropyl)-1H-pyrimidine-2,4-diamine
CID 149162525
4-ethyl-6-[3-(methylamino)piperidin-1-yl]-1H-pyrimidine-2,4-diamine
CID 152324885

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).