6-chloro-5-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-propylpyrimidin-4-amine

C14H23ClN4O — CID 80977889

IUPAC6-chloro-5-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(NCC2CN(C)CCO2)n1
InChIInChI=1S/C14H23ClN4O/c1-4-5-12-17-13(15)10(2)14(18-12)16-8-11-9-19(3)6-7-20-11/h11H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyABEVKMSHEYHBJE-UHFFFAOYSA-N
MW298.82 g/mol
LogP2.13
Rot. Bonds5

About 6-chloro-5-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-propylpyrimidin-4-amine

6-chloro-5-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-propylpyrimidin-4-amine (PubChem CID 80977889) has the molecular formula C14H23ClN4O and a molecular weight of 298.82 g/mol. Its IUPAC name is 6-chloro-5-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-propylpyrimidin-4-amine
PubChem CID80977889
Molecular FormulaC14H23ClN4O
Molecular Weight298.82 g/mol
Exact Mass298.16
IUPAC Name6-chloro-5-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(NCC2CN(C)CCO2)n1
InChIInChI=1S/C14H23ClN4O/c1-4-5-12-17-13(15)10(2)14(18-12)16-8-11-9-19(3)6-7-20-11/h11H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyABEVKMSHEYHBJE-UHFFFAOYSA-N
XLogP2.13
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-N,2-diethyl-5-methyl-4-N-[(4-methylmorpholin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80992667
6-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-2-propylpyrimidin-4-amine
CID 80968303
3-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 114148518
6-N-ethyl-5-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80987106
6-chloro-2-N-[(4-methylmorpholin-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80850407
6-hydrazinyl-5-methyl-N-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-amine
CID 80922854
4,6-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrimidin-2-amine
CID 78952498
6-chloro-5-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-propylpyrimidin-4-amine
CID 80971966
6-chloro-N-[(4-methylmorpholin-2-yl)methyl]-2-methylsulfanylpyrimidin-4-amine
CID 80545786
2-methyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-2-amine
CID 115616636
6-chloro-2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 79557190
3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one
CID 106257553

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-5-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-propylpyrimidin-4-amine (CID 80977889) is 6-chloro-5-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-propylpyrimidin-4-amine is CCCc1nc(Cl)c(C)c(NCC2CN(C)CCO2)n1.
What is the InChIKey of 6-chloro-5-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-propylpyrimidin-4-amine?
The InChIKey is ABEVKMSHEYHBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4O/c1-4-5-12-17-13(15)10(2)14(18-12)16-8-11-9-19(3)6-7-20-11/h11H,4-9H2,1-3H3,(H,16,17,18).
What are the key properties of 6-chloro-5-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-propylpyrimidin-4-amine?
6-chloro-5-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-propylpyrimidin-4-amine has a molecular weight of 298.82 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80977889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).