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

C12H17BrN4O — CID 83106045

IUPACN-[[4-(5-bromopyrimidin-4-yl)morpholin-3-yl]methyl]cyclopropanamine
SMILESBrc1cncnc1N1CCOCC1CNC1CC1
InChIInChI=1S/C12H17BrN4O/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
InChIKeyPGKSMSFHRFHNQP-UHFFFAOYSA-N
MW313.20 g/mol
LogP1.20
Rot. Bonds4

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

N-[[4-(5-bromopyrimidin-4-yl)morpholin-3-yl]methyl]cyclopropanamine (PubChem CID 83106045) has the molecular formula C12H17BrN4O and a molecular weight of 313.20 g/mol. Its IUPAC name is N-[[4-(5-bromopyrimidin-4-yl)morpholin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(5-bromopyrimidin-4-yl)morpholin-3-yl]methyl]cyclopropanamine
PubChem CID83106045
Molecular FormulaC12H17BrN4O
Molecular Weight313.20 g/mol
Exact Mass312.06
IUPAC NameN-[[4-(5-bromopyrimidin-4-yl)morpholin-3-yl]methyl]cyclopropanamine
SMILESBrc1cncnc1N1CCOCC1CNC1CC1
InChIInChI=1S/C12H17BrN4O/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
InChIKeyPGKSMSFHRFHNQP-UHFFFAOYSA-N
XLogP1.20
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(5-iodopyrimidin-4-yl)morpholin-3-yl]methyl]cyclopropanamine
CID 83104336
N-[(4-furo[3,2-c]pyridin-4-ylmorpholin-3-yl)methyl]cyclopropanamine
CID 106535615
3-(bromomethyl)-4-(5-chloropyrimidin-4-yl)morpholine
CID 105370746
N-[[4-(5-iodopyrimidin-4-yl)morpholin-3-yl]methyl]propan-2-amine
CID 83104922
N-[[4-(3-bromo-5-methyl-2-pyridinyl)morpholin-3-yl]methyl]ethanamine
CID 105368651
4-[3-[(cyclopropylamino)methyl]morpholin-4-yl]-1H-pyrimidin-6-one
CID 137008187
1-(5-bromopyrimidin-4-yl)-2-(chloromethyl)azepane
CID 116638846
N-[[4-[2-(4-bromophenoxy)ethyl]morpholin-3-yl]methyl]cyclopropanamine
CID 83102043
5-bromo-4-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine
CID 99856575
N-[[4-(4-propan-2-yloxypyrimidin-2-yl)morpholin-3-yl]methyl]cyclopropanamine
CID 115975665
N-[[4-(pyridin-3-ylmethyl)morpholin-3-yl]methyl]cyclopropanamine
CID 83100511
1-(5-bromopyrimidin-4-yl)-2-methylazepane
CID 66321136

Frequently Asked Questions

What is the IUPAC name of N-[[4-(5-bromopyrimidin-4-yl)morpholin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(5-bromopyrimidin-4-yl)morpholin-3-yl]methyl]cyclopropanamine (CID 83106045) is N-[[4-(5-bromopyrimidin-4-yl)morpholin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(5-bromopyrimidin-4-yl)morpholin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(5-bromopyrimidin-4-yl)morpholin-3-yl]methyl]cyclopropanamine is Brc1cncnc1N1CCOCC1CNC1CC1.
What is the InChIKey of N-[[4-(5-bromopyrimidin-4-yl)morpholin-3-yl]methyl]cyclopropanamine?
The InChIKey is PGKSMSFHRFHNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4O/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-bromopyrimidin-4-yl)morpholin-3-yl]methyl]cyclopropanamine?
N-[[4-(5-bromopyrimidin-4-yl)morpholin-3-yl]methyl]cyclopropanamine has a molecular weight of 313.20 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5-bromopyrimidin-4-yl)morpholin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 83106045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).