N-methyl-5-(3-morpholin-4-ylpropyl)pyrimidin-2-amine

C12H20N4O — CID 170871369

IUPACN-methyl-5-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
SMILESCNc1ncc(CCCN2CCOCC2)cn1
InChIInChI=1S/C12H20N4O/c1-13-12-14-9-11(10-15-12)3-2-4-16-5-7-17-8-6-16/h9-10H,2-8H2,1H3,(H,13,14,15)
InChIKeyUNGIDOQKDRGVIU-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.78
Rot. Bonds5

About N-methyl-5-(3-morpholin-4-ylpropyl)pyrimidin-2-amine

N-methyl-5-(3-morpholin-4-ylpropyl)pyrimidin-2-amine (PubChem CID 170871369) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-methyl-5-(3-morpholin-4-ylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-5-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
PubChem CID170871369
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-methyl-5-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
SMILESCNc1ncc(CCCN2CCOCC2)cn1
InChIInChI=1S/C12H20N4O/c1-13-12-14-9-11(10-15-12)3-2-4-16-5-7-17-8-6-16/h9-10H,2-8H2,1H3,(H,13,14,15)
InChIKeyUNGIDOQKDRGVIU-UHFFFAOYSA-N
XLogP0.78
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-5-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 175634186
4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine
CID 170870147
4-[3-[2-(4-methoxyphenyl)pyrimidin-5-yl]propyl]morpholine
CID 170871376
4-[3-(5-methyl-3-pyridinyl)propyl]morpholine
CID 70853506
4-(3-pyrimidin-2-ylpropyl)morpholine
CID 170871392
2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine
CID 24823423
4-[3-(4-iodophenyl)propyl]morpholine
CID 143873101
4-[3-(4-propan-2-ylphenyl)propyl]morpholine
CID 146185786
4-(3-quinoxalin-6-ylpropyl)morpholine
CID 170869858
4-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]morpholine
CID 170869835
azane;6-N-methyl-2-N-(3-morpholin-4-ylpropyl)-4-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 91085436
4-[3-(4,6-dichloropyrimidin-5-yl)propyl]morpholine
CID 170871352

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(3-morpholin-4-ylpropyl)pyrimidin-2-amine?
The IUPAC name of N-methyl-5-(3-morpholin-4-ylpropyl)pyrimidin-2-amine (CID 170871369) is N-methyl-5-(3-morpholin-4-ylpropyl)pyrimidin-2-amine.
What is the SMILES notation for N-methyl-5-(3-morpholin-4-ylpropyl)pyrimidin-2-amine?
The canonical SMILES for N-methyl-5-(3-morpholin-4-ylpropyl)pyrimidin-2-amine is CNc1ncc(CCCN2CCOCC2)cn1.
What is the InChIKey of N-methyl-5-(3-morpholin-4-ylpropyl)pyrimidin-2-amine?
The InChIKey is UNGIDOQKDRGVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-13-12-14-9-11(10-15-12)3-2-4-16-5-7-17-8-6-16/h9-10H,2-8H2,1H3,(H,13,14,15).
What are the key properties of N-methyl-5-(3-morpholin-4-ylpropyl)pyrimidin-2-amine?
N-methyl-5-(3-morpholin-4-ylpropyl)pyrimidin-2-amine has a molecular weight of 236.32 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(3-morpholin-4-ylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 170871369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).