6-chloro-N-methyl-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine

C14H22ClN3O — CID 80938173

IUPAC6-chloro-N-methyl-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(N(C)CC2CCCCO2)n1
InChIInChI=1S/C14H22ClN3O/c1-3-6-13-16-12(15)9-14(17-13)18(2)10-11-7-4-5-8-19-11/h9,11H,3-8,10H2,1-2H3
InChIKeyLFGJCEYILZHEMJ-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.09
Rot. Bonds5

About 6-chloro-N-methyl-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine

6-chloro-N-methyl-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine (PubChem CID 80938173) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine
PubChem CID80938173
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name6-chloro-N-methyl-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(N(C)CC2CCCCO2)n1
InChIInChI=1S/C14H22ClN3O/c1-3-6-13-16-12(15)9-14(17-13)18(2)10-11-7-4-5-8-19-11/h9,11H,3-8,10H2,1-2H3
InChIKeyLFGJCEYILZHEMJ-UHFFFAOYSA-N
XLogP3.09
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(cyclobutylmethyl)-N-methyl-2-propylpyrimidin-4-amine
CID 80939229
6-chloro-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine
CID 80938789
6-chloro-N-methyl-N-(oxan-2-ylmethyl)pyrazin-2-amine
CID 61362605
2-ethyl-6-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 80937281
3-[[(6-chloro-2-propylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80945445
6-chloro-N-(oxolan-2-ylmethyl)-2-propylpyrimidin-4-amine
CID 80939617
6-chloro-N-cyclohexyl-N-ethyl-2-propylpyrimidin-4-amine
CID 80940885
3-chloro-N-methyl-N-(oxan-2-ylmethyl)-1,2,4-triazin-5-amine
CID 115001102
[3-chloro-6-[methyl(oxan-2-ylmethyl)amino]-2-pyridinyl]methanol
CID 61436346
4-N,6-dimethyl-4-N-(oxan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80796286
6-(2-aminoethyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 56718429
N-ethyl-6-hydrazinyl-N-(oxolan-2-ylmethyl)-2-propylpyrimidin-4-amine
CID 80947627

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-methyl-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine (CID 80938173) is 6-chloro-N-methyl-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-methyl-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-methyl-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine is CCCc1nc(Cl)cc(N(C)CC2CCCCO2)n1.
What is the InChIKey of 6-chloro-N-methyl-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine?
The InChIKey is LFGJCEYILZHEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-3-6-13-16-12(15)9-14(17-13)18(2)10-11-7-4-5-8-19-11/h9,11H,3-8,10H2,1-2H3.
What are the key properties of 6-chloro-N-methyl-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine?
6-chloro-N-methyl-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine has a molecular weight of 283.80 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80938173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).