2-cyclopropyl-N-[(2,4,6-trimethoxyphenyl)methyl]pyrimidin-4-amine

C17H21N3O3 — CID 133297559

IUPAC2-cyclopropyl-N-[(2,4,6-trimethoxyphenyl)methyl]pyrimidin-4-amine
SMILESCOc1cc(OC)c(CNc2ccnc(C3CC3)n2)c(OC)c1
InChIInChI=1S/C17H21N3O3/c1-21-12-8-14(22-2)13(15(9-12)23-3)10-19-16-6-7-18-17(20-16)11-4-5-11/h6-9,11H,4-5,10H2,1-3H3,(H,18,19,20)
InChIKeyGFSJZTYHUWOODF-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.99
Rot. Bonds7

About 2-cyclopropyl-N-[(2,4,6-trimethoxyphenyl)methyl]pyrimidin-4-amine

2-cyclopropyl-N-[(2,4,6-trimethoxyphenyl)methyl]pyrimidin-4-amine (PubChem CID 133297559) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(2,4,6-trimethoxyphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[(2,4,6-trimethoxyphenyl)methyl]pyrimidin-4-amine
PubChem CID133297559
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2-cyclopropyl-N-[(2,4,6-trimethoxyphenyl)methyl]pyrimidin-4-amine
SMILESCOc1cc(OC)c(CNc2ccnc(C3CC3)n2)c(OC)c1
InChIInChI=1S/C17H21N3O3/c1-21-12-8-14(22-2)13(15(9-12)23-3)10-19-16-6-7-18-17(20-16)11-4-5-11/h6-9,11H,4-5,10H2,1-3H3,(H,18,19,20)
InChIKeyGFSJZTYHUWOODF-UHFFFAOYSA-N
XLogP2.99
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopropyl-N-[2-(4-methoxyphenoxy)propyl]pyrimidin-4-amine
CID 133323998
2-cyclopropyl-N-[2-(4-methoxyphenyl)-2-methylpropyl]pyrimidin-4-amine
CID 133304220
2-cyclopropyl-N-[(2-methoxy-5-nitrophenyl)methyl]pyrimidin-4-amine
CID 133298096
5-bromo-N-[(2,4,6-trimethoxyphenyl)methyl]pyridin-2-amine
CID 86054296
2-cyclopropyl-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]pyrimidin-4-amine
CID 133299001
N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-2-cyclopropylpyrimidin-4-amine
CID 133298913
2-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-N-methylpyrimidin-4-amine
CID 133304164
2-cyclopropyl-N-[(2,4-difluorophenyl)methyl]pyrimidin-4-amine
CID 154582588
2-chloro-N-[(2,5-dimethoxyphenyl)methyl]pyrimidin-4-amine
CID 11844762
2-N-(2,4-dimethoxyphenyl)-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890347
4-N-[(4-methoxyphenyl)methyl]-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112892502
2-cyclopropyl-N-[(4-methoxyoxan-4-yl)methyl]pyrimidin-4-amine
CID 133400059

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(2,4,6-trimethoxyphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-[(2,4,6-trimethoxyphenyl)methyl]pyrimidin-4-amine (CID 133297559) is 2-cyclopropyl-N-[(2,4,6-trimethoxyphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-[(2,4,6-trimethoxyphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-[(2,4,6-trimethoxyphenyl)methyl]pyrimidin-4-amine is COc1cc(OC)c(CNc2ccnc(C3CC3)n2)c(OC)c1.
What is the InChIKey of 2-cyclopropyl-N-[(2,4,6-trimethoxyphenyl)methyl]pyrimidin-4-amine?
The InChIKey is GFSJZTYHUWOODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-21-12-8-14(22-2)13(15(9-12)23-3)10-19-16-6-7-18-17(20-16)11-4-5-11/h6-9,11H,4-5,10H2,1-3H3,(H,18,19,20).
What are the key properties of 2-cyclopropyl-N-[(2,4,6-trimethoxyphenyl)methyl]pyrimidin-4-amine?
2-cyclopropyl-N-[(2,4,6-trimethoxyphenyl)methyl]pyrimidin-4-amine has a molecular weight of 315.37 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(2,4,6-trimethoxyphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 133297559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).