1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboximidamide

C10H14ClN5O — CID 136971720

IUPAC1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1CCN(c2nc[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C10H14ClN5O/c11-7-9(14-5-15-10(7)17)16-3-1-6(2-4-16)8(12)13/h5-6H,1-4H2,(H3,12,13)(H,14,15,17)
InChIKeyYQIQQSXJESMYSI-UHFFFAOYSA-N
MW255.71 g/mol
LogP0.58
Rot. Bonds2

About 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboximidamide

1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboximidamide (PubChem CID 136971720) has the molecular formula C10H14ClN5O and a molecular weight of 255.71 g/mol. Its IUPAC name is 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboximidamide.

Molecular Properties

Compound Name1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboximidamide
PubChem CID136971720
Molecular FormulaC10H14ClN5O
Molecular Weight255.71 g/mol
Exact Mass255.09
IUPAC Name1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1CCN(c2nc[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C10H14ClN5O/c11-7-9(14-5-15-10(7)17)16-3-1-6(2-4-16)8(12)13/h5-6H,1-4H2,(H3,12,13)(H,14,15,17)
InChIKeyYQIQQSXJESMYSI-UHFFFAOYSA-N
XLogP0.58
TPSA98.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 50.58
H-Bond Donors ≤ 53
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

5-chloro-2-methyl-4-[2-[(3R)-1-methylpiperidin-3-yl]ethylamino]-1H-pyrimidin-6-one
CID 137148245
5-chloro-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009791
5-chloro-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136731873
N-[[1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 136792776
5-chloro-4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805330
5-chloro-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
CID 136805366
5-chloro-4-[(1,4-dimethylpiperidin-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136912693
4-[3-(2-aminoethyl)pyrrolidin-1-yl]-5-chloro-1H-pyrimidin-6-one
CID 136929470
4-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one
CID 136961740
1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-4-methylpiperidine-4-carboximidamide
CID 136961741
3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-(2-methylpropyl)amino]propanimidamide
CID 136971703
1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboximidamide
CID 136971718

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboximidamide?
The IUPAC name of 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboximidamide (CID 136971720) is 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboximidamide.
What is the SMILES notation for 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboximidamide?
The canonical SMILES for 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboximidamide is [H]/N=C(\N)C1CCN(c2nc[nH]c(=O)c2Cl)CC1.
What is the InChIKey of 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboximidamide?
The InChIKey is YQIQQSXJESMYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN5O/c11-7-9(14-5-15-10(7)17)16-3-1-6(2-4-16)8(12)13/h5-6H,1-4H2,(H3,12,13)(H,14,15,17).
What are the key properties of 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboximidamide?
1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboximidamide has a molecular weight of 255.71 g/mol, XLogP of 0.58, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboximidamide is sourced from PubChem (CID 136971720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).