1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpiperidine-4-carboximidamide

C14H21N5 — CID 107162197

IUPAC1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpiperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1(C)CCN(c2ncnc3c2CCC3)CC1
InChIInChI=1S/C14H21N5/c1-14(13(15)16)5-7-19(8-6-14)12-10-3-2-4-11(10)17-9-18-12/h9H,2-8H2,1H3,(H3,15,16)
InChIKeyAZTOAXGZQRQFLQ-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.51
Rot. Bonds2

About 1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpiperidine-4-carboximidamide

1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpiperidine-4-carboximidamide (PubChem CID 107162197) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpiperidine-4-carboximidamide.

Molecular Properties

Compound Name1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpiperidine-4-carboximidamide
PubChem CID107162197
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpiperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1(C)CCN(c2ncnc3c2CCC3)CC1
InChIInChI=1S/C14H21N5/c1-14(13(15)16)5-7-19(8-6-14)12-10-3-2-4-11(10)17-9-18-12/h9H,2-8H2,1H3,(H3,15,16)
InChIKeyAZTOAXGZQRQFLQ-UHFFFAOYSA-N
XLogP1.51
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-methyl-1-(3-methylpyrazin-2-yl)piperidine-4-carboximidamide
CID 107162294
1'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 56906016
4-(5,6,7,8-tetrahydroquinazolin-4-yl)morpholine
CID 3706864
2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]ethanethioamide
CID 63336944
4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;dihydrochloride
CID 154583498
4-methyl-1-(3-oxo-4-propylpyrazin-2-yl)piperidine-4-carboximidamide
CID 107162190
4-methyl-1-(3-methylquinoxalin-2-yl)piperidine-4-carboximidamide
CID 107162205
4-(4-chloropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 63388917
1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-amine;dihydrochloride
CID 171689379
1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-4-methylpiperidine-4-carboximidamide
CID 107162239
[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(2-phenoxyethyl)piperidin-4-yl]methanol
CID 56754374
2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine
CID 62833677

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpiperidine-4-carboximidamide?
The IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpiperidine-4-carboximidamide (CID 107162197) is 1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpiperidine-4-carboximidamide.
What is the SMILES notation for 1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpiperidine-4-carboximidamide?
The canonical SMILES for 1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpiperidine-4-carboximidamide is [H]/N=C(\N)C1(C)CCN(c2ncnc3c2CCC3)CC1.
What is the InChIKey of 1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpiperidine-4-carboximidamide?
The InChIKey is AZTOAXGZQRQFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-14(13(15)16)5-7-19(8-6-14)12-10-3-2-4-11(10)17-9-18-12/h9H,2-8H2,1H3,(H3,15,16).
What are the key properties of 1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpiperidine-4-carboximidamide?
1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpiperidine-4-carboximidamide has a molecular weight of 259.36 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpiperidine-4-carboximidamide is sourced from PubChem (CID 107162197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).