5-iodo-4-(pyrrolidin-3-ylmethoxy)pyrimidine

C9H12IN3O — CID 66317968

IUPAC5-iodo-4-(pyrrolidin-3-ylmethoxy)pyrimidine
SMILESIc1cncnc1OCC1CCNC1
InChIInChI=1S/C9H12IN3O/c10-8-4-12-6-13-9(8)14-5-7-1-2-11-3-7/h4,6-7,11H,1-3,5H2
InChIKeySLMBYEXXKUJEMK-UHFFFAOYSA-N
MW305.12 g/mol
LogP1.07
Rot. Bonds3

About 5-iodo-4-(pyrrolidin-3-ylmethoxy)pyrimidine

5-iodo-4-(pyrrolidin-3-ylmethoxy)pyrimidine (PubChem CID 66317968) has the molecular formula C9H12IN3O and a molecular weight of 305.12 g/mol. Its IUPAC name is 5-iodo-4-(pyrrolidin-3-ylmethoxy)pyrimidine.

Molecular Properties

Compound Name5-iodo-4-(pyrrolidin-3-ylmethoxy)pyrimidine
PubChem CID66317968
Molecular FormulaC9H12IN3O
Molecular Weight305.12 g/mol
Exact Mass305.00
IUPAC Name5-iodo-4-(pyrrolidin-3-ylmethoxy)pyrimidine
SMILESIc1cncnc1OCC1CCNC1
InChIInChI=1S/C9H12IN3O/c10-8-4-12-6-13-9(8)14-5-7-1-2-11-3-7/h4,6-7,11H,1-3,5H2
InChIKeySLMBYEXXKUJEMK-UHFFFAOYSA-N
XLogP1.07
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-4-(piperidin-3-ylmethoxy)pyrimidine
CID 66321144
5-iodo-4-(2-pyrrolidin-3-ylethoxy)pyrimidine
CID 114796262
(3S)-3-[(2-iodophenoxy)methyl]pyrrolidine
CID 86321614
5-iodo-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 106642624
5-bromo-4-(cyclopropylmethoxy)pyrimidine
CID 66320949
5-nitro-6-(pyrrolidin-3-ylmethoxy)pyridine-3-carbonitrile
CID 103473285
2-methoxy-3-(pyrrolidin-3-ylmethoxy)quinoxaline
CID 71643111
2-methoxy-3-[[(3S)-pyrrolidin-3-yl]methoxy]quinoxaline
CID 97164916
3-[(4-bromo-2-chloro-5-iodophenoxy)methyl]pyrrolidine
CID 164888662
(3R)-3-(phenoxymethyl)pyrrolidine
CID 26192487
4-(cyclopropylmethoxy)pyrimidin-5-amine
CID 79918233
2-cyclopentyl-5-(pyrrolidin-3-ylmethoxy)pyrimidine
CID 117230949

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-(pyrrolidin-3-ylmethoxy)pyrimidine?
The IUPAC name of 5-iodo-4-(pyrrolidin-3-ylmethoxy)pyrimidine (CID 66317968) is 5-iodo-4-(pyrrolidin-3-ylmethoxy)pyrimidine.
What is the SMILES notation for 5-iodo-4-(pyrrolidin-3-ylmethoxy)pyrimidine?
The canonical SMILES for 5-iodo-4-(pyrrolidin-3-ylmethoxy)pyrimidine is Ic1cncnc1OCC1CCNC1.
What is the InChIKey of 5-iodo-4-(pyrrolidin-3-ylmethoxy)pyrimidine?
The InChIKey is SLMBYEXXKUJEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12IN3O/c10-8-4-12-6-13-9(8)14-5-7-1-2-11-3-7/h4,6-7,11H,1-3,5H2.
What are the key properties of 5-iodo-4-(pyrrolidin-3-ylmethoxy)pyrimidine?
5-iodo-4-(pyrrolidin-3-ylmethoxy)pyrimidine has a molecular weight of 305.12 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-(pyrrolidin-3-ylmethoxy)pyrimidine is sourced from PubChem (CID 66317968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).