N-[[4-(5-iodopyrimidin-4-yl)morpholin-3-yl]methyl]cyclopropanamine

C12H17IN4O — CID 83104336

IUPACN-[[4-(5-iodopyrimidin-4-yl)morpholin-3-yl]methyl]cyclopropanamine
SMILESIc1cncnc1N1CCOCC1CNC1CC1
InChIInChI=1S/C12H17IN4O/c13-11-6-14-8-16-12(11)17-3-4-18-7-10(17)5-15-9-1-2-9/h6,8-10,15H,1-5,7H2
InChIKeyGHQWZXFRSUNFQU-UHFFFAOYSA-N
MW360.20 g/mol
LogP1.04
Rot. Bonds4

About N-[[4-(5-iodopyrimidin-4-yl)morpholin-3-yl]methyl]cyclopropanamine

N-[[4-(5-iodopyrimidin-4-yl)morpholin-3-yl]methyl]cyclopropanamine (PubChem CID 83104336) has the molecular formula C12H17IN4O and a molecular weight of 360.20 g/mol. Its IUPAC name is N-[[4-(5-iodopyrimidin-4-yl)morpholin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(5-iodopyrimidin-4-yl)morpholin-3-yl]methyl]cyclopropanamine
PubChem CID83104336
Molecular FormulaC12H17IN4O
Molecular Weight360.20 g/mol
Exact Mass360.04
IUPAC NameN-[[4-(5-iodopyrimidin-4-yl)morpholin-3-yl]methyl]cyclopropanamine
SMILESIc1cncnc1N1CCOCC1CNC1CC1
InChIInChI=1S/C12H17IN4O/c13-11-6-14-8-16-12(11)17-3-4-18-7-10(17)5-15-9-1-2-9/h6,8-10,15H,1-5,7H2
InChIKeyGHQWZXFRSUNFQU-UHFFFAOYSA-N
XLogP1.04
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(5-bromopyrimidin-4-yl)morpholin-3-yl]methyl]cyclopropanamine
CID 83106045
N-[[4-(5-iodopyrimidin-4-yl)morpholin-3-yl]methyl]propan-2-amine
CID 83104922
N-[(4-furo[3,2-c]pyridin-4-ylmorpholin-3-yl)methyl]cyclopropanamine
CID 106535615
N-[[1-(5-iodopyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine
CID 66319099
3-(bromomethyl)-4-(5-chloropyrimidin-4-yl)morpholine
CID 105370746
4-[3-[(cyclopropylamino)methyl]morpholin-4-yl]-1H-pyrimidin-6-one
CID 137008187
[1-(5-iodopyrimidin-4-yl)azepan-2-yl]methanamine
CID 116640270
N-[[2-(3-ethylmorpholin-4-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62283293
N-[[4-(4-propan-2-yloxypyrimidin-2-yl)morpholin-3-yl]methyl]cyclopropanamine
CID 115975665
8-(5-iodopyrimidin-4-yl)-3-oxa-8-azabicyclo[3.2.1]octane
CID 164653495
N-[[4-(pyridin-3-ylmethyl)morpholin-3-yl]methyl]cyclopropanamine
CID 83100511
1-[4-(3,6-dimethylpyrazin-2-yl)morpholin-3-yl]-N-methylmethanamine
CID 83104328

Frequently Asked Questions

What is the IUPAC name of N-[[4-(5-iodopyrimidin-4-yl)morpholin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(5-iodopyrimidin-4-yl)morpholin-3-yl]methyl]cyclopropanamine (CID 83104336) is N-[[4-(5-iodopyrimidin-4-yl)morpholin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(5-iodopyrimidin-4-yl)morpholin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(5-iodopyrimidin-4-yl)morpholin-3-yl]methyl]cyclopropanamine is Ic1cncnc1N1CCOCC1CNC1CC1.
What is the InChIKey of N-[[4-(5-iodopyrimidin-4-yl)morpholin-3-yl]methyl]cyclopropanamine?
The InChIKey is GHQWZXFRSUNFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IN4O/c13-11-6-14-8-16-12(11)17-3-4-18-7-10(17)5-15-9-1-2-9/h6,8-10,15H,1-5,7H2.
What are the key properties of N-[[4-(5-iodopyrimidin-4-yl)morpholin-3-yl]methyl]cyclopropanamine?
N-[[4-(5-iodopyrimidin-4-yl)morpholin-3-yl]methyl]cyclopropanamine has a molecular weight of 360.20 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5-iodopyrimidin-4-yl)morpholin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 83104336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).