2-amino-4-methyl-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]pyrimidine-5-carboxamide

C20H24N4O2 — CID 99934057

IUPAC2-amino-4-methyl-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]pyrimidine-5-carboxamide
SMILESCc1nc(N)ncc1C(=O)N[C@H]1CC2(CCCCC2)Oc2ccccc21
InChIInChI=1S/C20H24N4O2/c1-13-15(12-22-19(21)23-13)18(25)24-16-11-20(9-5-2-6-10-20)26-17-8-4-3-7-14(16)17/h3-4,7-8,12,16H,2,5-6,9-11H2,1H3,(H,24,25)(H2,21,22,23)/t16-/m0/s1
InChIKeyQHJBRMOQNXAOER-INIZCTEOSA-N
MW352.44 g/mol
LogP3.32
Rot. Bonds2

About 2-amino-4-methyl-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]pyrimidine-5-carboxamide

2-amino-4-methyl-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]pyrimidine-5-carboxamide (PubChem CID 99934057) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-amino-4-methyl-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]pyrimidine-5-carboxamide
PubChem CID99934057
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name2-amino-4-methyl-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]pyrimidine-5-carboxamide
SMILESCc1nc(N)ncc1C(=O)N[C@H]1CC2(CCCCC2)Oc2ccccc21
InChIInChI=1S/C20H24N4O2/c1-13-15(12-22-19(21)23-13)18(25)24-16-11-20(9-5-2-6-10-20)26-17-8-4-3-7-14(16)17/h3-4,7-8,12,16H,2,5-6,9-11H2,1H3,(H,24,25)(H2,21,22,23)/t16-/m0/s1
InChIKeyQHJBRMOQNXAOER-INIZCTEOSA-N
XLogP3.32
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-aminopyrimidin-5-yl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylprop-2-enamide
CID 171140030
2-amino-4-methyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)pyrimidine-5-carboxamide
CID 91795887
N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]pyridine-3-carboxamide
CID 100628157
2-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinoline-3-carboxamide
CID 155945168
1,6-dimethyl-4-oxo-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpyridine-3-carboxamide
CID 118780791
4-hydroxy-6-oxo-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]-1H-pyridine-3-carboxamide
CID 125157024
(2S)-2-amino-3-methyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide
CID 119341975
2-(methylamino)-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]-1,3-thiazole-4-carboxamide
CID 99996343
3-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbenzamide;hydrochloride
CID 119815673
1-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylcyclopentane-1-carboxamide
CID 119341963
2-morpholin-4-yl-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylbenzamide
CID 131931836
3-amino-2-methyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide
CID 120502115

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-4-methyl-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]pyrimidine-5-carboxamide (CID 99934057) is 2-amino-4-methyl-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-4-methyl-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-4-methyl-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]pyrimidine-5-carboxamide is Cc1nc(N)ncc1C(=O)N[C@H]1CC2(CCCCC2)Oc2ccccc21.
What is the InChIKey of 2-amino-4-methyl-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]pyrimidine-5-carboxamide?
The InChIKey is QHJBRMOQNXAOER-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-13-15(12-22-19(21)23-13)18(25)24-16-11-20(9-5-2-6-10-20)26-17-8-4-3-7-14(16)17/h3-4,7-8,12,16H,2,5-6,9-11H2,1H3,(H,24,25)(H2,21,22,23)/t16-/m0/s1.
What are the key properties of 2-amino-4-methyl-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]pyrimidine-5-carboxamide?
2-amino-4-methyl-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]pyrimidine-5-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 3.32, 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-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 99934057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).