2-tert-butyl-N-[(4-chloro-2-methoxyphenyl)methyl]-6-(methoxymethyl)pyrimidin-4-amine

C18H24ClN3O2 — CID 133401633

IUPAC2-tert-butyl-N-[(4-chloro-2-methoxyphenyl)methyl]-6-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1cc(NCc2ccc(Cl)cc2OC)nc(C(C)(C)C)n1
InChIInChI=1S/C18H24ClN3O2/c1-18(2,3)17-21-14(11-23-4)9-16(22-17)20-10-12-6-7-13(19)8-15(12)24-5/h6-9H,10-11H2,1-5H3,(H,20,21,22)
InChIKeyUGHGZSPXQOMCGF-UHFFFAOYSA-N
MW349.86 g/mol
LogP4.19
Rot. Bonds6

About 2-tert-butyl-N-[(4-chloro-2-methoxyphenyl)methyl]-6-(methoxymethyl)pyrimidin-4-amine

2-tert-butyl-N-[(4-chloro-2-methoxyphenyl)methyl]-6-(methoxymethyl)pyrimidin-4-amine (PubChem CID 133401633) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is 2-tert-butyl-N-[(4-chloro-2-methoxyphenyl)methyl]-6-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-[(4-chloro-2-methoxyphenyl)methyl]-6-(methoxymethyl)pyrimidin-4-amine
PubChem CID133401633
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC Name2-tert-butyl-N-[(4-chloro-2-methoxyphenyl)methyl]-6-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1cc(NCc2ccc(Cl)cc2OC)nc(C(C)(C)C)n1
InChIInChI=1S/C18H24ClN3O2/c1-18(2,3)17-21-14(11-23-4)9-16(22-17)20-10-12-6-7-13(19)8-15(12)24-5/h6-9H,10-11H2,1-5H3,(H,20,21,22)
InChIKeyUGHGZSPXQOMCGF-UHFFFAOYSA-N
XLogP4.19
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-6-(methoxymethyl)-N-[(4-methoxy-3-methylphenyl)methyl]pyrimidin-4-amine
CID 133401023
N-[(3-bromo-4-methoxyphenyl)methyl]-2-tert-butyl-6-(methoxymethyl)pyrimidin-4-amine
CID 133401021
2-[[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]methyl]-4-methoxyphenol
CID 133401878
2-tert-butyl-6-(methoxymethyl)-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine
CID 133402820
2-tert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 133405511
2-tert-butyl-N-[[4-(difluoromethyl)phenyl]methyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 133474597
4-[[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one
CID 133402394
2-tert-butyl-N-(2,2-difluoroethyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 133402707
2-tert-butyl-6-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 133404924
2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-1-(4-chloro-3-fluorophenyl)ethanol
CID 133430921
2-tert-butyl-6-(methoxymethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-4-amine
CID 133402371
2-tert-butyl-4-(5-chloro-2-nitrophenoxy)-6-(methoxymethyl)pyrimidine
CID 133405026

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[(4-chloro-2-methoxyphenyl)methyl]-6-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N-[(4-chloro-2-methoxyphenyl)methyl]-6-(methoxymethyl)pyrimidin-4-amine (CID 133401633) is 2-tert-butyl-N-[(4-chloro-2-methoxyphenyl)methyl]-6-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-[(4-chloro-2-methoxyphenyl)methyl]-6-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N-[(4-chloro-2-methoxyphenyl)methyl]-6-(methoxymethyl)pyrimidin-4-amine is COCc1cc(NCc2ccc(Cl)cc2OC)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-N-[(4-chloro-2-methoxyphenyl)methyl]-6-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is UGHGZSPXQOMCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c1-18(2,3)17-21-14(11-23-4)9-16(22-17)20-10-12-6-7-13(19)8-15(12)24-5/h6-9H,10-11H2,1-5H3,(H,20,21,22).
What are the key properties of 2-tert-butyl-N-[(4-chloro-2-methoxyphenyl)methyl]-6-(methoxymethyl)pyrimidin-4-amine?
2-tert-butyl-N-[(4-chloro-2-methoxyphenyl)methyl]-6-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 349.86 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[(4-chloro-2-methoxyphenyl)methyl]-6-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 133401633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).