N-butan-2-yl-6-chloro-N-(2-methoxyethyl)-5-methyl-2-propylpyrimidin-4-amine

C15H26ClN3O — CID 80972379

IUPACN-butan-2-yl-6-chloro-N-(2-methoxyethyl)-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(N(CCOC)C(C)CC)n1
InChIInChI=1S/C15H26ClN3O/c1-6-8-13-17-14(16)12(4)15(18-13)19(9-10-20-5)11(3)7-2/h11H,6-10H2,1-5H3
InChIKeyBJQAXJZDFRSHOJ-UHFFFAOYSA-N
MW299.85 g/mol
LogP3.64
Rot. Bonds8

About N-butan-2-yl-6-chloro-N-(2-methoxyethyl)-5-methyl-2-propylpyrimidin-4-amine

N-butan-2-yl-6-chloro-N-(2-methoxyethyl)-5-methyl-2-propylpyrimidin-4-amine (PubChem CID 80972379) has the molecular formula C15H26ClN3O and a molecular weight of 299.85 g/mol. Its IUPAC name is N-butan-2-yl-6-chloro-N-(2-methoxyethyl)-5-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-butan-2-yl-6-chloro-N-(2-methoxyethyl)-5-methyl-2-propylpyrimidin-4-amine
PubChem CID80972379
Molecular FormulaC15H26ClN3O
Molecular Weight299.85 g/mol
Exact Mass299.18
IUPAC NameN-butan-2-yl-6-chloro-N-(2-methoxyethyl)-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(N(CCOC)C(C)CC)n1
InChIInChI=1S/C15H26ClN3O/c1-6-8-13-17-14(16)12(4)15(18-13)19(9-10-20-5)11(3)7-2/h11H,6-10H2,1-5H3
InChIKeyBJQAXJZDFRSHOJ-UHFFFAOYSA-N
XLogP3.64
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-5-methyl-2-propylpyrimidin-4-amine
CID 80979560
2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 80972297
N-butan-2-yl-3,5,6-trichloro-N-(2-methoxyethyl)pyridin-2-amine
CID 102750784
N-butan-2-yl-N-butyl-6-chloro-2,5-dimethylpyrimidin-4-amine
CID 63727976
6-chloro-N-ethyl-N-(2-ethylbutyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80970845
4-N-butan-2-yl-2-chloro-4-N-(2-methoxyethyl)-6-methylpyrimidine-4,5-diamine
CID 114043716
6-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-5-methylpyrimidin-4-amine
CID 63728317
6-chloro-N-(2-methoxyethyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80971330
6-chloro-N-ethyl-N-(2-methoxyethyl)-2,5-dimethylpyrimidin-4-amine
CID 63728451
N'-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995620
2-N-butan-2-yl-6-chloro-4-N-ethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 80821370
2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol
CID 107482089

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-chloro-N-(2-methoxyethyl)-5-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of N-butan-2-yl-6-chloro-N-(2-methoxyethyl)-5-methyl-2-propylpyrimidin-4-amine (CID 80972379) is N-butan-2-yl-6-chloro-N-(2-methoxyethyl)-5-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for N-butan-2-yl-6-chloro-N-(2-methoxyethyl)-5-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for N-butan-2-yl-6-chloro-N-(2-methoxyethyl)-5-methyl-2-propylpyrimidin-4-amine is CCCc1nc(Cl)c(C)c(N(CCOC)C(C)CC)n1.
What is the InChIKey of N-butan-2-yl-6-chloro-N-(2-methoxyethyl)-5-methyl-2-propylpyrimidin-4-amine?
The InChIKey is BJQAXJZDFRSHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3O/c1-6-8-13-17-14(16)12(4)15(18-13)19(9-10-20-5)11(3)7-2/h11H,6-10H2,1-5H3.
What are the key properties of N-butan-2-yl-6-chloro-N-(2-methoxyethyl)-5-methyl-2-propylpyrimidin-4-amine?
N-butan-2-yl-6-chloro-N-(2-methoxyethyl)-5-methyl-2-propylpyrimidin-4-amine has a molecular weight of 299.85 g/mol, XLogP of 3.64, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-chloro-N-(2-methoxyethyl)-5-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80972379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).