N-[(4-methylmorpholin-2-yl)methyl]-4-propoxypyrimidin-2-amine

C13H22N4O2 — CID 112638136

IUPACN-[(4-methylmorpholin-2-yl)methyl]-4-propoxypyrimidin-2-amine
SMILESCCCOc1ccnc(NCC2CN(C)CCO2)n1
InChIInChI=1S/C13H22N4O2/c1-3-7-19-12-4-5-14-13(16-12)15-9-11-10-17(2)6-8-18-11/h4-5,11H,3,6-10H2,1-2H3,(H,14,15,16)
InChIKeyAFPCRZYYTMDXJA-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.01
Rot. Bonds6

About N-[(4-methylmorpholin-2-yl)methyl]-4-propoxypyrimidin-2-amine

N-[(4-methylmorpholin-2-yl)methyl]-4-propoxypyrimidin-2-amine (PubChem CID 112638136) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[(4-methylmorpholin-2-yl)methyl]-4-propoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[(4-methylmorpholin-2-yl)methyl]-4-propoxypyrimidin-2-amine
PubChem CID112638136
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-[(4-methylmorpholin-2-yl)methyl]-4-propoxypyrimidin-2-amine
SMILESCCCOc1ccnc(NCC2CN(C)CCO2)n1
InChIInChI=1S/C13H22N4O2/c1-3-7-19-12-4-5-14-13(16-12)15-9-11-10-17(2)6-8-18-11/h4-5,11H,3,6-10H2,1-2H3,(H,14,15,16)
InChIKeyAFPCRZYYTMDXJA-UHFFFAOYSA-N
XLogP1.01
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(2R)-4-methylmorpholin-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 95160947
N-[(4-methylmorpholin-2-yl)methyl]-6-propoxypyrimidin-4-amine
CID 79072413
4-ethoxy-6-methyl-N-[(4-methylmorpholin-2-yl)methyl]pyrimidin-2-amine
CID 112638139
N-(1-methylpyrrolidin-3-yl)-4-propoxypyrimidin-2-amine
CID 112637135
4,6-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrimidin-2-amine
CID 78952498
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-propoxypyrimidin-2-amine
CID 107164370
5-fluoro-N-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrimidin-2-amine
CID 124594370
N-[(4-methylmorpholin-2-yl)methyl]-1,2,4-benzotriazin-3-amine
CID 103204381
6-chloro-2-N-[(4-methylmorpholin-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80850407
7-methoxy-N-[(4-methylmorpholin-2-yl)methyl]isoquinolin-1-amine
CID 106539026
4-propoxy-N-(thian-2-ylmethyl)pyrimidin-2-amine
CID 112638269
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-propoxypyrimidin-2-amine
CID 115974477

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-4-propoxypyrimidin-2-amine?
The IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-4-propoxypyrimidin-2-amine (CID 112638136) is N-[(4-methylmorpholin-2-yl)methyl]-4-propoxypyrimidin-2-amine.
What is the SMILES notation for N-[(4-methylmorpholin-2-yl)methyl]-4-propoxypyrimidin-2-amine?
The canonical SMILES for N-[(4-methylmorpholin-2-yl)methyl]-4-propoxypyrimidin-2-amine is CCCOc1ccnc(NCC2CN(C)CCO2)n1.
What is the InChIKey of N-[(4-methylmorpholin-2-yl)methyl]-4-propoxypyrimidin-2-amine?
The InChIKey is AFPCRZYYTMDXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-7-19-12-4-5-14-13(16-12)15-9-11-10-17(2)6-8-18-11/h4-5,11H,3,6-10H2,1-2H3,(H,14,15,16).
What are the key properties of N-[(4-methylmorpholin-2-yl)methyl]-4-propoxypyrimidin-2-amine?
N-[(4-methylmorpholin-2-yl)methyl]-4-propoxypyrimidin-2-amine has a molecular weight of 266.34 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylmorpholin-2-yl)methyl]-4-propoxypyrimidin-2-amine is sourced from PubChem (CID 112638136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).