5-chloro-1-[2-(cyclopropylmethylamino)ethyl]pyrimidine-2,4-dione

C10H14ClN3O2 — CID 66424593

IUPAC5-chloro-1-[2-(cyclopropylmethylamino)ethyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CCNCC2CC2)cc1Cl
InChIInChI=1S/C10H14ClN3O2/c11-8-6-14(10(16)13-9(8)15)4-3-12-5-7-1-2-7/h6-7,12H,1-5H2,(H,13,15,16)
InChIKeyRIKGKCLCXIHTCY-UHFFFAOYSA-N
MW243.69 g/mol
LogP0.19
Rot. Bonds5

About 5-chloro-1-[2-(cyclopropylmethylamino)ethyl]pyrimidine-2,4-dione

5-chloro-1-[2-(cyclopropylmethylamino)ethyl]pyrimidine-2,4-dione (PubChem CID 66424593) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 5-chloro-1-[2-(cyclopropylmethylamino)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-chloro-1-[2-(cyclopropylmethylamino)ethyl]pyrimidine-2,4-dione
PubChem CID66424593
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name5-chloro-1-[2-(cyclopropylmethylamino)ethyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CCNCC2CC2)cc1Cl
InChIInChI=1S/C10H14ClN3O2/c11-8-6-14(10(16)13-9(8)15)4-3-12-5-7-1-2-7/h6-7,12H,1-5H2,(H,13,15,16)
InChIKeyRIKGKCLCXIHTCY-UHFFFAOYSA-N
XLogP0.19
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[2-(cyclopropylmethylamino)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-chloro-1-[2-(cyclopropylmethylamino)ethyl]pyrimidine-2,4-dione (CID 66424593) is 5-chloro-1-[2-(cyclopropylmethylamino)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-chloro-1-[2-(cyclopropylmethylamino)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-chloro-1-[2-(cyclopropylmethylamino)ethyl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(CCNCC2CC2)cc1Cl.
What is the InChIKey of 5-chloro-1-[2-(cyclopropylmethylamino)ethyl]pyrimidine-2,4-dione?
The InChIKey is RIKGKCLCXIHTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c11-8-6-14(10(16)13-9(8)15)4-3-12-5-7-1-2-7/h6-7,12H,1-5H2,(H,13,15,16).
What are the key properties of 5-chloro-1-[2-(cyclopropylmethylamino)ethyl]pyrimidine-2,4-dione?
5-chloro-1-[2-(cyclopropylmethylamino)ethyl]pyrimidine-2,4-dione has a molecular weight of 243.69 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[2-(cyclopropylmethylamino)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 66424593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).