2-amino-4-methyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)pyrimidine-5-carboxamide

C18H22N4O2 — CID 91795887

IUPAC2-amino-4-methyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)pyrimidine-5-carboxamide
SMILESCc1ccc2c(c1)OC(C)(C)CC2NC(=O)c1cnc(N)nc1C
InChIInChI=1S/C18H22N4O2/c1-10-5-6-12-14(8-18(3,4)24-15(12)7-10)22-16(23)13-9-20-17(19)21-11(13)2/h5-7,9,14H,8H2,1-4H3,(H,22,23)(H2,19,20,21)
InChIKeyBXEMAZQFKSXPPY-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.71
Rot. Bonds2

About 2-amino-4-methyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)pyrimidine-5-carboxamide

2-amino-4-methyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)pyrimidine-5-carboxamide (PubChem CID 91795887) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)pyrimidine-5-carboxamide
PubChem CID91795887
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2-amino-4-methyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)pyrimidine-5-carboxamide
SMILESCc1ccc2c(c1)OC(C)(C)CC2NC(=O)c1cnc(N)nc1C
InChIInChI=1S/C18H22N4O2/c1-10-5-6-12-14(8-18(3,4)24-15(12)7-10)22-16(23)13-9-20-17(19)21-11(13)2/h5-7,9,14H,8H2,1-4H3,(H,22,23)(H2,19,20,21)
InChIKeyBXEMAZQFKSXPPY-UHFFFAOYSA-N
XLogP2.71
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]-1,3-oxazole-4-carboxamide
CID 125439478
5-methyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)-1,3-oxazole-4-carboxamide
CID 122561508
2-methylsulfanyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132652294
2-amino-4-methyl-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]pyrimidine-5-carboxamide
CID 99934057
2-methyl-3-nitro-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 99995286
3-chloro-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132651440
2-methyl-3-[methyl(methylsulfonyl)amino]-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132665014
6-(1,2,4-triazol-4-yl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)pyridine-3-carboxamide
CID 131904820
3-methoxy-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132651013
3-(2-methylprop-2-enoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132654747
2-(4-chlorophenyl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132652521
N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)pyridine-3-carboxamide
CID 133231370

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-4-methyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)pyrimidine-5-carboxamide (CID 91795887) is 2-amino-4-methyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-4-methyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-4-methyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)pyrimidine-5-carboxamide is Cc1ccc2c(c1)OC(C)(C)CC2NC(=O)c1cnc(N)nc1C.
What is the InChIKey of 2-amino-4-methyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)pyrimidine-5-carboxamide?
The InChIKey is BXEMAZQFKSXPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-10-5-6-12-14(8-18(3,4)24-15(12)7-10)22-16(23)13-9-20-17(19)21-11(13)2/h5-7,9,14H,8H2,1-4H3,(H,22,23)(H2,19,20,21).
What are the key properties of 2-amino-4-methyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)pyrimidine-5-carboxamide?
2-amino-4-methyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)pyrimidine-5-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 91795887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).