N-[(2-amino-4-oxo-3,5-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methyl]-4-(3,4-dimethoxyphenyl)butanamide

C19H23N5O4 — CID 137210054

IUPACN-[(2-amino-4-oxo-3,5-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methyl]-4-(3,4-dimethoxyphenyl)butanamide
SMILESCOc1ccc(CCCC(=O)NCC2C=Nc3nc(N)[nH]c(=O)c32)cc1OC
InChIInChI=1S/C19H23N5O4/c1-27-13-7-6-11(8-14(13)28-2)4-3-5-15(25)21-9-12-10-22-17-16(12)18(26)24-19(20)23-17/h6-8,10,12H,3-5,9H2,1-2H3,(H,21,25)(H3,20,23,24,26)
InChIKeyOECFUKBRVGSUDJ-UHFFFAOYSA-N
MW385.42 g/mol
LogP1.31
Rot. Bonds8

About N-[(2-amino-4-oxo-3,5-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methyl]-4-(3,4-dimethoxyphenyl)butanamide

N-[(2-amino-4-oxo-3,5-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methyl]-4-(3,4-dimethoxyphenyl)butanamide (PubChem CID 137210054) has the molecular formula C19H23N5O4 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-[(2-amino-4-oxo-3,5-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methyl]-4-(3,4-dimethoxyphenyl)butanamide.

Molecular Properties

Compound NameN-[(2-amino-4-oxo-3,5-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methyl]-4-(3,4-dimethoxyphenyl)butanamide
PubChem CID137210054
Molecular FormulaC19H23N5O4
Molecular Weight385.42 g/mol
Exact Mass385.18
IUPAC NameN-[(2-amino-4-oxo-3,5-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methyl]-4-(3,4-dimethoxyphenyl)butanamide
SMILESCOc1ccc(CCCC(=O)NCC2C=Nc3nc(N)[nH]c(=O)c32)cc1OC
InChIInChI=1S/C19H23N5O4/c1-27-13-7-6-11(8-14(13)28-2)4-3-5-15(25)21-9-12-10-22-17-16(12)18(26)24-19(20)23-17/h6-8,10,12H,3-5,9H2,1-2H3,(H,21,25)(H3,20,23,24,26)
InChIKeyOECFUKBRVGSUDJ-UHFFFAOYSA-N
XLogP1.31
TPSA131.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-(3,4-Dimethoxybenzyl)-3-[(2-methoxyethyl)amino]-1,2,4-triazin-5-ol
CID 135652092
Caracasandiamide
CID 44336401
5-(3,4-dimethoxyphenyl)-2-methyl-5,6,7,8,9,10-hexahydro-3H-pyrimido[4,5-b]quinolin-4-one
CID 136241582
3-(3,4-dimethoxyphenyl)-N-[4-[[N'-(3-methylbut-2-enyl)carbamimidoyl]amino]butyl]propanamide;methanesulfonic acid
CID 44373099
2-[2-(3,4-Dimethoxyphenyl)ethylamino]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 135611852
2-[5-(3,4-dimethoxyphenyl)-4-oxo-5,6,7,8,9,10-hexahydro-3H-pyrimido[4,5-b]quinolin-2-yl]acetonitrile
CID 136241575
(1S,2R,3S,4R)-3,4-bis(3,4-dimethoxyphenyl)-1-N,2-N-bis[4-[[N'-(3-methylbut-2-enyl)carbamimidoyl]amino]butyl]cyclobutane-1,2-dicarboxamide
CID 10395434
3-(3,4-dimethoxyphenyl)-N-[4-[[N'-(3-methylbut-2-enyl)carbamimidoyl]amino]butyl]propanamide
CID 44373100
trans-(1S,2S)-2-(3,4-dimethoxyphenyl)-N-[4-[[N'-(3-methylbut-2-enyl)carbamimidoyl]amino]butyl]cyclopropane-1-carboxamide
CID 44373369
2-(3,4-dimethoxyphenyl)-N-[4-[[N'-(3-methylbut-2-enyl)carbamimidoyl]amino]butyl]acetamide
CID 44373428
2-amino-5-(3,4-dimethoxyphenyl)-4-hydroxy-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one
CID 135472088
5-(3,4-dimethoxyphenyl)-2-methyl-5,6-dihydropyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione
CID 135651689

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-4-oxo-3,5-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methyl]-4-(3,4-dimethoxyphenyl)butanamide?
The IUPAC name of N-[(2-amino-4-oxo-3,5-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methyl]-4-(3,4-dimethoxyphenyl)butanamide (CID 137210054) is N-[(2-amino-4-oxo-3,5-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methyl]-4-(3,4-dimethoxyphenyl)butanamide.
What is the SMILES notation for N-[(2-amino-4-oxo-3,5-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methyl]-4-(3,4-dimethoxyphenyl)butanamide?
The canonical SMILES for N-[(2-amino-4-oxo-3,5-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methyl]-4-(3,4-dimethoxyphenyl)butanamide is COc1ccc(CCCC(=O)NCC2C=Nc3nc(N)[nH]c(=O)c32)cc1OC.
What is the InChIKey of N-[(2-amino-4-oxo-3,5-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methyl]-4-(3,4-dimethoxyphenyl)butanamide?
The InChIKey is OECFUKBRVGSUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4/c1-27-13-7-6-11(8-14(13)28-2)4-3-5-15(25)21-9-12-10-22-17-16(12)18(26)24-19(20)23-17/h6-8,10,12H,3-5,9H2,1-2H3,(H,21,25)(H3,20,23,24,26).
What are the key properties of N-[(2-amino-4-oxo-3,5-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methyl]-4-(3,4-dimethoxyphenyl)butanamide?
N-[(2-amino-4-oxo-3,5-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methyl]-4-(3,4-dimethoxyphenyl)butanamide has a molecular weight of 385.42 g/mol, XLogP of 1.31, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-4-oxo-3,5-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methyl]-4-(3,4-dimethoxyphenyl)butanamide is sourced from PubChem (CID 137210054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).