N-[(3-aminocyclobutyl)methyl]-5-iodopyrimidin-2-amine

C9H13IN4 — CID 116649643

IUPACN-[(3-aminocyclobutyl)methyl]-5-iodopyrimidin-2-amine
SMILESNC1CC(CNc2ncc(I)cn2)C1
InChIInChI=1S/C9H13IN4/c10-7-4-13-9(14-5-7)12-3-6-1-8(11)2-6/h4-6,8H,1-3,11H2,(H,12,13,14)
InChIKeyRCRUFKCIICBGFJ-UHFFFAOYSA-N
MW304.14 g/mol
LogP1.23
Rot. Bonds3

About N-[(3-aminocyclobutyl)methyl]-5-iodopyrimidin-2-amine

N-[(3-aminocyclobutyl)methyl]-5-iodopyrimidin-2-amine (PubChem CID 116649643) has the molecular formula C9H13IN4 and a molecular weight of 304.14 g/mol. Its IUPAC name is N-[(3-aminocyclobutyl)methyl]-5-iodopyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3-aminocyclobutyl)methyl]-5-iodopyrimidin-2-amine
PubChem CID116649643
Molecular FormulaC9H13IN4
Molecular Weight304.14 g/mol
Exact Mass304.02
IUPAC NameN-[(3-aminocyclobutyl)methyl]-5-iodopyrimidin-2-amine
SMILESNC1CC(CNc2ncc(I)cn2)C1
InChIInChI=1S/C9H13IN4/c10-7-4-13-9(14-5-7)12-3-6-1-8(11)2-6/h4-6,8H,1-3,11H2,(H,12,13,14)
InChIKeyRCRUFKCIICBGFJ-UHFFFAOYSA-N
XLogP1.23
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 51.23
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

N-(cyclopropylmethyl)-5-iodopyrimidin-2-amine
CID 115620662
N-[(3-chlorocyclopentyl)methyl]-5-iodopyrimidin-2-amine
CID 106123816
N-[(3-aminocyclopentyl)methyl]-5-fluoropyrimidin-2-amine
CID 106126495
5-iodo-N-(oxolan-3-ylmethyl)pyrimidin-2-amine
CID 104841332
1-cyclopropyl-N'-(5-iodopyrimidin-2-yl)ethane-1,2-diamine
CID 116648669
N-[(3-aminocyclobutyl)methyl]-4-ethoxypyrimidin-2-amine
CID 112639518
2-N-(oxan-4-ylmethyl)pyrimidine-2,5-diamine
CID 63726292
2-N-(thiolan-3-ylmethyl)pyrimidine-2,5-diamine
CID 107294936
N-[(1-cyclopropylcyclopropyl)methyl]-5-iodopyrimidin-2-amine
CID 104844190
3-[[(5-bromopyrimidin-2-yl)amino]methyl]cyclopentan-1-ol
CID 103269690
5-bromo-N-[(4-chlorocyclohexyl)methyl]pyrimidin-2-amine
CID 106126066
4-[[(5-chloropyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
CID 106130672

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclobutyl)methyl]-5-iodopyrimidin-2-amine?
The IUPAC name of N-[(3-aminocyclobutyl)methyl]-5-iodopyrimidin-2-amine (CID 116649643) is N-[(3-aminocyclobutyl)methyl]-5-iodopyrimidin-2-amine.
What is the SMILES notation for N-[(3-aminocyclobutyl)methyl]-5-iodopyrimidin-2-amine?
The canonical SMILES for N-[(3-aminocyclobutyl)methyl]-5-iodopyrimidin-2-amine is NC1CC(CNc2ncc(I)cn2)C1.
What is the InChIKey of N-[(3-aminocyclobutyl)methyl]-5-iodopyrimidin-2-amine?
The InChIKey is RCRUFKCIICBGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN4/c10-7-4-13-9(14-5-7)12-3-6-1-8(11)2-6/h4-6,8H,1-3,11H2,(H,12,13,14).
What are the key properties of N-[(3-aminocyclobutyl)methyl]-5-iodopyrimidin-2-amine?
N-[(3-aminocyclobutyl)methyl]-5-iodopyrimidin-2-amine has a molecular weight of 304.14 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclobutyl)methyl]-5-iodopyrimidin-2-amine is sourced from PubChem (CID 116649643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).