4-[[1-(aminomethyl)cyclopropyl]methylamino]-5-iodo-1H-pyrimidin-6-one

C9H13IN4O — CID 137008663

IUPAC4-[[1-(aminomethyl)cyclopropyl]methylamino]-5-iodo-1H-pyrimidin-6-one
SMILESNCC1(CNc2nc[nH]c(=O)c2I)CC1
InChIInChI=1S/C9H13IN4O/c10-6-7(13-5-14-8(6)15)12-4-9(3-11)1-2-9/h5H,1-4,11H2,(H2,12,13,14,15)
InChIKeyGTINLHVNTWIZOH-UHFFFAOYSA-N
MW320.13 g/mol
LogP0.53
Rot. Bonds4

About 4-[[1-(aminomethyl)cyclopropyl]methylamino]-5-iodo-1H-pyrimidin-6-one

4-[[1-(aminomethyl)cyclopropyl]methylamino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 137008663) has the molecular formula C9H13IN4O and a molecular weight of 320.13 g/mol. Its IUPAC name is 4-[[1-(aminomethyl)cyclopropyl]methylamino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[1-(aminomethyl)cyclopropyl]methylamino]-5-iodo-1H-pyrimidin-6-one
PubChem CID137008663
Molecular FormulaC9H13IN4O
Molecular Weight320.13 g/mol
Exact Mass320.01
IUPAC Name4-[[1-(aminomethyl)cyclopropyl]methylamino]-5-iodo-1H-pyrimidin-6-one
SMILESNCC1(CNc2nc[nH]c(=O)c2I)CC1
InChIInChI=1S/C9H13IN4O/c10-6-7(13-5-14-8(6)15)12-4-9(3-11)1-2-9/h5H,1-4,11H2,(H2,12,13,14,15)
InChIKeyGTINLHVNTWIZOH-UHFFFAOYSA-N
XLogP0.53
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.13
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[[1-(aminomethyl)cyclopropyl]methylamino]-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-iodo-4-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1H-pyrimidin-6-one
CID 136956994
5-iodo-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136696648
4-[[1-(2-aminoethyl)cyclopropyl]methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136951275
5-chloro-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136852233
5-iodo-4-(pyrrolidin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136978824
4-(2,3-dimethylbutylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956815
4-[(2-amino-3-ethylpentyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 137003223
4-[(1-ethylcyclobutyl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 137004958
4-[2-(4-aminophenyl)ethylamino]-5-iodo-1H-pyrimidin-6-one
CID 136989314
4-[(2-chloro-2-cyclopropylethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136971924
5-iodo-4-[(5-methylpyrazin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 137016386
4-[[2-(dimethylamino)-2-methylpropyl]amino]-5-iodo-1H-pyrimidin-6-one
CID 136956500

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(aminomethyl)cyclopropyl]methylamino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[[1-(aminomethyl)cyclopropyl]methylamino]-5-iodo-1H-pyrimidin-6-one (CID 137008663) is 4-[[1-(aminomethyl)cyclopropyl]methylamino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[1-(aminomethyl)cyclopropyl]methylamino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[1-(aminomethyl)cyclopropyl]methylamino]-5-iodo-1H-pyrimidin-6-one is NCC1(CNc2nc[nH]c(=O)c2I)CC1.
What is the InChIKey of 4-[[1-(aminomethyl)cyclopropyl]methylamino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is GTINLHVNTWIZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN4O/c10-6-7(13-5-14-8(6)15)12-4-9(3-11)1-2-9/h5H,1-4,11H2,(H2,12,13,14,15).
What are the key properties of 4-[[1-(aminomethyl)cyclopropyl]methylamino]-5-iodo-1H-pyrimidin-6-one?
4-[[1-(aminomethyl)cyclopropyl]methylamino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 320.13 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(aminomethyl)cyclopropyl]methylamino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 137008663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).