N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-pyridin-3-ylpyrimidin-2-amine

C21H22N4O2 — CID 74238449

IUPACN-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-pyridin-3-ylpyrimidin-2-amine
SMILESCOc1ccc2c(c1)C(Nc1nccc(-c3cccnc3)n1)CC(C)(C)O2
InChIInChI=1S/C21H22N4O2/c1-21(2)12-18(16-11-15(26-3)6-7-19(16)27-21)25-20-23-10-8-17(24-20)14-5-4-9-22-13-14/h4-11,13,18H,12H2,1-3H3,(H,23,24,25)
InChIKeyIQTCNJWHEIYBSA-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.26
Rot. Bonds4

About N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-pyridin-3-ylpyrimidin-2-amine

N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-pyridin-3-ylpyrimidin-2-amine (PubChem CID 74238449) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-pyridin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-pyridin-3-ylpyrimidin-2-amine
PubChem CID74238449
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-pyridin-3-ylpyrimidin-2-amine
SMILESCOc1ccc2c(c1)C(Nc1nccc(-c3cccnc3)n1)CC(C)(C)O2
InChIInChI=1S/C21H22N4O2/c1-21(2)12-18(16-11-15(26-3)6-7-19(16)27-21)25-20-23-10-8-17(24-20)14-5-4-9-22-13-14/h4-11,13,18H,12H2,1-3H3,(H,23,24,25)
InChIKeyIQTCNJWHEIYBSA-UHFFFAOYSA-N
XLogP4.26
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-pyridin-3-ylpyrimidin-2-amine?
The IUPAC name of N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-pyridin-3-ylpyrimidin-2-amine (CID 74238449) is N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-pyridin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-pyridin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-pyridin-3-ylpyrimidin-2-amine is COc1ccc2c(c1)C(Nc1nccc(-c3cccnc3)n1)CC(C)(C)O2.
What is the InChIKey of N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-pyridin-3-ylpyrimidin-2-amine?
The InChIKey is IQTCNJWHEIYBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-21(2)12-18(16-11-15(26-3)6-7-19(16)27-21)25-20-23-10-8-17(24-20)14-5-4-9-22-13-14/h4-11,13,18H,12H2,1-3H3,(H,23,24,25).
What are the key properties of N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-pyridin-3-ylpyrimidin-2-amine?
N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-pyridin-3-ylpyrimidin-2-amine has a molecular weight of 362.43 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-pyridin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 74238449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).