(3R,5R)-3,5-dimethyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboximidamide

C13H21N5O — CID 135875004

IUPAC(3R,5R)-3,5-dimethyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboximidamide
SMILESCc1cc(=O)[nH]c(N=C(N)N2C[C@H](C)C[C@@H](C)C2)n1
InChIInChI=1S/C13H21N5O/c1-8-4-9(2)7-18(6-8)12(14)17-13-15-10(3)5-11(19)16-13/h5,8-9H,4,6-7H2,1-3H3,(H3,14,15,16,17,19)/t8-,9-/m1/s1
InChIKeyGNZMVRUSFAZOCX-RKDXNWHRSA-N
MW263.34 g/mol
LogP1.00
Rot. Bonds1

About (3R,5R)-3,5-dimethyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboximidamide

(3R,5R)-3,5-dimethyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboximidamide (PubChem CID 135875004) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is (3R,5R)-3,5-dimethyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboximidamide.

Molecular Properties

Compound Name(3R,5R)-3,5-dimethyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboximidamide
PubChem CID135875004
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name(3R,5R)-3,5-dimethyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboximidamide
SMILESCc1cc(=O)[nH]c(N=C(N)N2C[C@H](C)C[C@@H](C)C2)n1
InChIInChI=1S/C13H21N5O/c1-8-4-9(2)7-18(6-8)12(14)17-13-15-10(3)5-11(19)16-13/h5,8-9H,4,6-7H2,1-3H3,(H3,14,15,16,17,19)/t8-,9-/m1/s1
InChIKeyGNZMVRUSFAZOCX-RKDXNWHRSA-N
XLogP1.00
TPSA87.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboximidamide
CID 135954388
N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboximidamide
CID 154778523
2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 135580130
N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 136713256
1-(2,4-dimethylphenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine
CID 135481551
2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(3-methylphenyl)guanidine
CID 137276879
2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine
CID 135645386
2-(3,5-dimethylpiperidin-1-yl)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 61177320
2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine
CID 135504526
1-(3-methoxyphenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine
CID 135513481
1-(4-ethoxyphenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine
CID 135471732
2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 135451712

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3,5-dimethyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboximidamide?
The IUPAC name of (3R,5R)-3,5-dimethyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboximidamide (CID 135875004) is (3R,5R)-3,5-dimethyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboximidamide.
What is the SMILES notation for (3R,5R)-3,5-dimethyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboximidamide?
The canonical SMILES for (3R,5R)-3,5-dimethyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboximidamide is Cc1cc(=O)[nH]c(N=C(N)N2C[C@H](C)C[C@@H](C)C2)n1.
What is the InChIKey of (3R,5R)-3,5-dimethyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboximidamide?
The InChIKey is GNZMVRUSFAZOCX-RKDXNWHRSA-N. The full InChI is InChI=1S/C13H21N5O/c1-8-4-9(2)7-18(6-8)12(14)17-13-15-10(3)5-11(19)16-13/h5,8-9H,4,6-7H2,1-3H3,(H3,14,15,16,17,19)/t8-,9-/m1/s1.
What are the key properties of (3R,5R)-3,5-dimethyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboximidamide?
(3R,5R)-3,5-dimethyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboximidamide has a molecular weight of 263.34 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3,5-dimethyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboximidamide is sourced from PubChem (CID 135875004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).