4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-5-iodo-1H-pyrimidin-6-one

C13H19IN4O — CID 136781003

IUPAC4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N(CC2CC2)CC2CCCN2)c1I
InChIInChI=1S/C13H19IN4O/c14-11-12(16-8-17-13(11)19)18(6-9-3-4-9)7-10-2-1-5-15-10/h8-10,15H,1-7H2,(H,16,17,19)
InChIKeyQUMVDYONMQMTJJ-UHFFFAOYSA-N
MW374.23 g/mol
LogP1.34
Rot. Bonds5

About 4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-5-iodo-1H-pyrimidin-6-one

4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136781003) has the molecular formula C13H19IN4O and a molecular weight of 374.23 g/mol. Its IUPAC name is 4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136781003
Molecular FormulaC13H19IN4O
Molecular Weight374.23 g/mol
Exact Mass374.06
IUPAC Name4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N(CC2CC2)CC2CCCN2)c1I
InChIInChI=1S/C13H19IN4O/c14-11-12(16-8-17-13(11)19)18(6-9-3-4-9)7-10-2-1-5-15-10/h8-10,15H,1-7H2,(H,16,17,19)
InChIKeyQUMVDYONMQMTJJ-UHFFFAOYSA-N
XLogP1.34
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-5-iodo-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136672453
5-chloro-4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136672454
4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136672455
4-(3-amino-4-methylpyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136677208
5-amino-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731505
5-iodo-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731506
5-amino-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780967
5-iodo-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780971
5-iodo-4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780978
4-[ethyl(pyrrolidin-2-ylmethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136780985
5-amino-4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780991
5-iodo-4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780993

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-5-iodo-1H-pyrimidin-6-one (CID 136781003) is 4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-5-iodo-1H-pyrimidin-6-one is O=c1[nH]cnc(N(CC2CC2)CC2CCCN2)c1I.
What is the InChIKey of 4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is QUMVDYONMQMTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19IN4O/c14-11-12(16-8-17-13(11)19)18(6-9-3-4-9)7-10-2-1-5-15-10/h8-10,15H,1-7H2,(H,16,17,19).
What are the key properties of 4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-5-iodo-1H-pyrimidin-6-one?
4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 374.23 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136781003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).