4-[2-aminoethyl(cyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one

C10H15IN4O — CID 136827350

IUPAC4-[2-aminoethyl(cyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESNCCN(c1nc[nH]c(=O)c1I)C1CCC1
InChIInChI=1S/C10H15IN4O/c11-8-9(13-6-14-10(8)16)15(5-4-12)7-2-1-3-7/h6-7H,1-5,12H2,(H,13,14,16)
InChIKeyPHGMMDOJYIVRQV-UHFFFAOYSA-N
MW334.16 g/mol
LogP0.69
Rot. Bonds4

About 4-[2-aminoethyl(cyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one

4-[2-aminoethyl(cyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136827350) has the molecular formula C10H15IN4O and a molecular weight of 334.16 g/mol. Its IUPAC name is 4-[2-aminoethyl(cyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-aminoethyl(cyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136827350
Molecular FormulaC10H15IN4O
Molecular Weight334.16 g/mol
Exact Mass334.03
IUPAC Name4-[2-aminoethyl(cyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESNCCN(c1nc[nH]c(=O)c1I)C1CCC1
InChIInChI=1S/C10H15IN4O/c11-8-9(13-6-14-10(8)16)15(5-4-12)7-2-1-3-7/h6-7H,1-5,12H2,(H,13,14,16)
InChIKeyPHGMMDOJYIVRQV-UHFFFAOYSA-N
XLogP0.69
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[(3,3-Difluorocyclobutyl)amino]-5-iodo-3,4-dihydropyrimidin-4-one
CID 164651912
4-(3-amino-4-methylpyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136677208
N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide
CID 136713574
4-(2,4-dimethyl-1,4-diazepan-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136726420
4-(2,4-dimethylpiperazin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136726430
4-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136726437
5-iodo-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731506
4-[[1-(dimethylamino)cyclobutyl]methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136780737
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136780756
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

Frequently Asked Questions

What is the IUPAC name of 4-[2-aminoethyl(cyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-aminoethyl(cyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one (CID 136827350) is 4-[2-aminoethyl(cyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-aminoethyl(cyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-aminoethyl(cyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one is NCCN(c1nc[nH]c(=O)c1I)C1CCC1.
What is the InChIKey of 4-[2-aminoethyl(cyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is PHGMMDOJYIVRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN4O/c11-8-9(13-6-14-10(8)16)15(5-4-12)7-2-1-3-7/h6-7H,1-5,12H2,(H,13,14,16).
What are the key properties of 4-[2-aminoethyl(cyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one?
4-[2-aminoethyl(cyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 334.16 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-aminoethyl(cyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136827350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).