[4-[[4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone

C20H24N6O3 — CID 122490551

IUPAC[4-[[4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone
SMILESCCNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC)nc2[nH]ccc12
InChIInChI=1S/C20H24N6O3/c1-3-21-17-14-6-7-22-18(14)25-20(24-17)23-15-5-4-13(12-16(15)28-2)19(27)26-8-10-29-11-9-26/h4-7,12H,3,8-11H2,1-2H3,(H3,21,22,23,24,25)
InChIKeyFWYGPGWKEWCLFN-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.61
Rot. Bonds6

About [4-[[4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone

[4-[[4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone (PubChem CID 122490551) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is [4-[[4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[[4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone
PubChem CID122490551
Molecular FormulaC20H24N6O3
Molecular Weight396.45 g/mol
Exact Mass396.19
IUPAC Name[4-[[4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone
SMILESCCNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC)nc2[nH]ccc12
InChIInChI=1S/C20H24N6O3/c1-3-21-17-14-6-7-22-18(14)25-20(24-17)23-15-5-4-13(12-16(15)28-2)19(27)26-8-10-29-11-9-26/h4-7,12H,3,8-11H2,1-2H3,(H3,21,22,23,24,25)
InChIKeyFWYGPGWKEWCLFN-UHFFFAOYSA-N
XLogP2.61
TPSA104.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 58539301
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CID 112499966
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CID 25113170
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Frequently Asked Questions

What is the IUPAC name of [4-[[4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[[4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone (CID 122490551) is [4-[[4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[[4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[[4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone is CCNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC)nc2[nH]ccc12.
What is the InChIKey of [4-[[4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone?
The InChIKey is FWYGPGWKEWCLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3/c1-3-21-17-14-6-7-22-18(14)25-20(24-17)23-15-5-4-13(12-16(15)28-2)19(27)26-8-10-29-11-9-26/h4-7,12H,3,8-11H2,1-2H3,(H3,21,22,23,24,25).
What are the key properties of [4-[[4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone?
[4-[[4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone has a molecular weight of 396.45 g/mol, XLogP of 2.61, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 122490551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).