6-methyl-N-[(1S,2R)-2-(oxan-4-yloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C22H26N4O2 — CID 174168228

IUPAC6-methyl-N-[(1S,2R)-2-(oxan-4-yloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(N[C@H]3c4ccccc4CC[C@H]3OC3CCOCC3)ncnc2[nH]1
InChIInChI=1S/C22H26N4O2/c1-14-12-18-21(25-14)23-13-24-22(18)26-20-17-5-3-2-4-15(17)6-7-19(20)28-16-8-10-27-11-9-16/h2-5,12-13,16,19-20H,6-11H2,1H3,(H2,23,24,25,26)/t19-,20+/m1/s1
InChIKeyCYPDLQSRUVSUSB-UXHICEINSA-N
MW378.48 g/mol
LogP3.93
Rot. Bonds4

About 6-methyl-N-[(1S,2R)-2-(oxan-4-yloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

6-methyl-N-[(1S,2R)-2-(oxan-4-yloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 174168228) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 6-methyl-N-[(1S,2R)-2-(oxan-4-yloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[(1S,2R)-2-(oxan-4-yloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID174168228
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name6-methyl-N-[(1S,2R)-2-(oxan-4-yloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(N[C@H]3c4ccccc4CC[C@H]3OC3CCOCC3)ncnc2[nH]1
InChIInChI=1S/C22H26N4O2/c1-14-12-18-21(25-14)23-13-24-22(18)26-20-17-5-3-2-4-15(17)6-7-19(20)28-16-8-10-27-11-9-16/h2-5,12-13,16,19-20H,6-11H2,1H3,(H2,23,24,25,26)/t19-,20+/m1/s1
InChIKeyCYPDLQSRUVSUSB-UXHICEINSA-N
XLogP3.93
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-methyl-N-[(1S,2R)-2-(oxan-4-yloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

(2S)-2-phenyl-2-[(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 117779877
(2S)-2-[[6-[4-[[2-(dimethylamino)ethylamino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 162649655
N-[[(2S)-oxolan-2-yl]methyl]-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 70693256
[(2S)-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methanamine
CID 25222318
[(2R)-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methanamine
CID 25222319
C-[4-(9H-Pyrimido[4,5-b]indol-4-yl)-morpholin-2-yl]-methylamine
CID 57391918
1-[[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol
CID 155187461
N-[(1R,2R)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 164779485
N-(4-methoxycyclohexyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 56670142
6-[4-(morpholin-4-ylmethyl)phenyl]-N-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 171513207
N-(oxan-4-yl)-6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 171513232
N-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-N-(oxan-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 171513463

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(1S,2R)-2-(oxan-4-yloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-[(1S,2R)-2-(oxan-4-yloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 174168228) is 6-methyl-N-[(1S,2R)-2-(oxan-4-yloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-[(1S,2R)-2-(oxan-4-yloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-[(1S,2R)-2-(oxan-4-yloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1cc2c(N[C@H]3c4ccccc4CC[C@H]3OC3CCOCC3)ncnc2[nH]1.
What is the InChIKey of 6-methyl-N-[(1S,2R)-2-(oxan-4-yloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is CYPDLQSRUVSUSB-UXHICEINSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-14-12-18-21(25-14)23-13-24-22(18)26-20-17-5-3-2-4-15(17)6-7-19(20)28-16-8-10-27-11-9-16/h2-5,12-13,16,19-20H,6-11H2,1H3,(H2,23,24,25,26)/t19-,20+/m1/s1.
What are the key properties of 6-methyl-N-[(1S,2R)-2-(oxan-4-yloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
6-methyl-N-[(1S,2R)-2-(oxan-4-yloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 378.48 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(1S,2R)-2-(oxan-4-yloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 174168228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).