5-chloro-2-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine

C13H20ClN3O — CID 80758368

IUPAC5-chloro-2-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
SMILESCOc1ncc(Cl)c(NCC2C(C)(C)C2(C)C)n1
InChIInChI=1S/C13H20ClN3O/c1-12(2)9(13(12,3)4)7-15-10-8(14)6-16-11(17-10)18-5/h6,9H,7H2,1-5H3,(H,15,16,17)
InChIKeyWAURRRFJQUIUBB-UHFFFAOYSA-N
MW269.78 g/mol
LogP3.23
Rot. Bonds4

About 5-chloro-2-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine

5-chloro-2-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine (PubChem CID 80758368) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
PubChem CID80758368
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name5-chloro-2-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
SMILESCOc1ncc(Cl)c(NCC2C(C)(C)C2(C)C)n1
InChIInChI=1S/C13H20ClN3O/c1-12(2)9(13(12,3)4)7-15-10-8(14)6-16-11(17-10)18-5/h6,9H,7H2,1-5H3,(H,15,16,17)
InChIKeyWAURRRFJQUIUBB-UHFFFAOYSA-N
XLogP3.23
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N~4~-methyl-N~2~-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 122569408
2-chloro-5-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 79350346
5-fluoro-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 80848289
5-fluoro-2-N-methyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 80848678
5-fluoro-2-N-propyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 80848759
2-N-ethyl-5-fluoro-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 80848761
5-chloro-2-methoxy-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
CID 81425720
2-chloro-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine
CID 102907374
5-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-2-amine
CID 104606222
2-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-5-fluoropyrimidin-4-amine
CID 105664701
4-N-[(1-cyclopropylcyclopropyl)methyl]-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 105667680
4-N-[(1-cyclopropylcyclopropyl)methyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 105667752

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-2-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine (CID 80758368) is 5-chloro-2-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-2-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-2-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine is COc1ncc(Cl)c(NCC2C(C)(C)C2(C)C)n1.
What is the InChIKey of 5-chloro-2-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine?
The InChIKey is WAURRRFJQUIUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-12(2)9(13(12,3)4)7-15-10-8(14)6-16-11(17-10)18-5/h6,9H,7H2,1-5H3,(H,15,16,17).
What are the key properties of 5-chloro-2-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine?
5-chloro-2-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine has a molecular weight of 269.78 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80758368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).