6-[2-[2-(3-methoxy-2-pyridinyl)cyclopropyl]ethoxy]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine

C21H26N6O2 — CID 78060356

IUPAC6-[2-[2-(3-methoxy-2-pyridinyl)cyclopropyl]ethoxy]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
SMILESCOc1cccnc1C1CC1CCOc1cc(NCc2cnn(C)c2)nc(C)n1
InChIInChI=1S/C21H26N6O2/c1-14-25-19(23-11-15-12-24-27(2)13-15)10-20(26-14)29-8-6-16-9-17(16)21-18(28-3)5-4-7-22-21/h4-5,7,10,12-13,16-17H,6,8-9,11H2,1-3H3,(H,23,25,26)
InChIKeyDGBQQJZDVPHWGO-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.11
Rot. Bonds9

About 6-[2-[2-(3-methoxy-2-pyridinyl)cyclopropyl]ethoxy]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine

6-[2-[2-(3-methoxy-2-pyridinyl)cyclopropyl]ethoxy]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine (PubChem CID 78060356) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 6-[2-[2-(3-methoxy-2-pyridinyl)cyclopropyl]ethoxy]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-[2-(3-methoxy-2-pyridinyl)cyclopropyl]ethoxy]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
PubChem CID78060356
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name6-[2-[2-(3-methoxy-2-pyridinyl)cyclopropyl]ethoxy]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
SMILESCOc1cccnc1C1CC1CCOc1cc(NCc2cnn(C)c2)nc(C)n1
InChIInChI=1S/C21H26N6O2/c1-14-25-19(23-11-15-12-24-27(2)13-15)10-20(26-14)29-8-6-16-9-17(16)21-18(28-3)5-4-7-22-21/h4-5,7,10,12-13,16-17H,6,8-9,11H2,1-3H3,(H,23,25,26)
InChIKeyDGBQQJZDVPHWGO-UHFFFAOYSA-N
XLogP3.11
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[2-[2-(3-methoxy-2-pyridinyl)cyclopropyl]ethoxy]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine with MolForge

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Related Compounds

6-(cyclopropylmethoxy)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 144538357
2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[(2-pyridin-2-ylcyclopropyl)methoxy]pyrimidin-4-amine
CID 71272463
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methyl-6-[2-(2-pyridin-2-ylcyclopropyl)ethoxy]pyrimidin-4-amine
CID 123178301
2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[2-[(1R,2S)-2-(5-pyridin-2-yl-2-pyridinyl)cyclopropyl]ethoxy]pyrimidin-4-amine
CID 144538381
6-(2-methoxyethoxy)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 82454448
6-(2-methoxyethoxy)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidin-4-amine
CID 82454445
6-(2-cyclopropylethoxy)-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 144538323
4-methoxy-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 62865764
6-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 66329179
6-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-3-amine
CID 75355989
N-[(4-fluorophenyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66326678
2-[(1-methylpyrazol-4-yl)methylamino]pyridine-4-carbonitrile
CID 55150359

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-(3-methoxy-2-pyridinyl)cyclopropyl]ethoxy]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-[2-[2-(3-methoxy-2-pyridinyl)cyclopropyl]ethoxy]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine (CID 78060356) is 6-[2-[2-(3-methoxy-2-pyridinyl)cyclopropyl]ethoxy]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-[2-[2-(3-methoxy-2-pyridinyl)cyclopropyl]ethoxy]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-[2-[2-(3-methoxy-2-pyridinyl)cyclopropyl]ethoxy]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine is COc1cccnc1C1CC1CCOc1cc(NCc2cnn(C)c2)nc(C)n1.
What is the InChIKey of 6-[2-[2-(3-methoxy-2-pyridinyl)cyclopropyl]ethoxy]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is DGBQQJZDVPHWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-14-25-19(23-11-15-12-24-27(2)13-15)10-20(26-14)29-8-6-16-9-17(16)21-18(28-3)5-4-7-22-21/h4-5,7,10,12-13,16-17H,6,8-9,11H2,1-3H3,(H,23,25,26).
What are the key properties of 6-[2-[2-(3-methoxy-2-pyridinyl)cyclopropyl]ethoxy]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine?
6-[2-[2-(3-methoxy-2-pyridinyl)cyclopropyl]ethoxy]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 394.48 g/mol, XLogP of 3.11, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-(3-methoxy-2-pyridinyl)cyclopropyl]ethoxy]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 78060356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).