N-[4-(aminomethyl)oxan-4-yl]-5-iodopyrimidin-4-amine

C10H15IN4O — CID 106298229

IUPACN-[4-(aminomethyl)oxan-4-yl]-5-iodopyrimidin-4-amine
SMILESNCC1(Nc2ncncc2I)CCOCC1
InChIInChI=1S/C10H15IN4O/c11-8-5-13-7-14-9(8)15-10(6-12)1-3-16-4-2-10/h5,7H,1-4,6,12H2,(H,13,14,15)
InChIKeySSSFZQDQLKGUTA-UHFFFAOYSA-N
MW334.16 g/mol
LogP1.00
Rot. Bonds3

About N-[4-(aminomethyl)oxan-4-yl]-5-iodopyrimidin-4-amine

N-[4-(aminomethyl)oxan-4-yl]-5-iodopyrimidin-4-amine (PubChem CID 106298229) has the molecular formula C10H15IN4O and a molecular weight of 334.16 g/mol. Its IUPAC name is N-[4-(aminomethyl)oxan-4-yl]-5-iodopyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-(aminomethyl)oxan-4-yl]-5-iodopyrimidin-4-amine
PubChem CID106298229
Molecular FormulaC10H15IN4O
Molecular Weight334.16 g/mol
Exact Mass334.03
IUPAC NameN-[4-(aminomethyl)oxan-4-yl]-5-iodopyrimidin-4-amine
SMILESNCC1(Nc2ncncc2I)CCOCC1
InChIInChI=1S/C10H15IN4O/c11-8-5-13-7-14-9(8)15-10(6-12)1-3-16-4-2-10/h5,7H,1-4,6,12H2,(H,13,14,15)
InChIKeySSSFZQDQLKGUTA-UHFFFAOYSA-N
XLogP1.00
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-5-iodopyrimidin-4-amine?
The IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-5-iodopyrimidin-4-amine (CID 106298229) is N-[4-(aminomethyl)oxan-4-yl]-5-iodopyrimidin-4-amine.
What is the SMILES notation for N-[4-(aminomethyl)oxan-4-yl]-5-iodopyrimidin-4-amine?
The canonical SMILES for N-[4-(aminomethyl)oxan-4-yl]-5-iodopyrimidin-4-amine is NCC1(Nc2ncncc2I)CCOCC1.
What is the InChIKey of N-[4-(aminomethyl)oxan-4-yl]-5-iodopyrimidin-4-amine?
The InChIKey is SSSFZQDQLKGUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN4O/c11-8-5-13-7-14-9(8)15-10(6-12)1-3-16-4-2-10/h5,7H,1-4,6,12H2,(H,13,14,15).
What are the key properties of N-[4-(aminomethyl)oxan-4-yl]-5-iodopyrimidin-4-amine?
N-[4-(aminomethyl)oxan-4-yl]-5-iodopyrimidin-4-amine has a molecular weight of 334.16 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)oxan-4-yl]-5-iodopyrimidin-4-amine is sourced from PubChem (CID 106298229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).