1-(2-methoxyethyl)-5-[(quinazolin-4-ylamino)methyl]pyrimidine-2,4-dione

C16H17N5O3 — CID 154768726

IUPAC1-(2-methoxyethyl)-5-[(quinazolin-4-ylamino)methyl]pyrimidine-2,4-dione
SMILESCOCCn1cc(CNc2ncnc3ccccc23)c(=O)[nH]c1=O
InChIInChI=1S/C16H17N5O3/c1-24-7-6-21-9-11(15(22)20-16(21)23)8-17-14-12-4-2-3-5-13(12)18-10-19-14/h2-5,9-10H,6-8H2,1H3,(H,17,18,19)(H,20,22,23)
InChIKeyQTGDVSCDSIIFQR-UHFFFAOYSA-N
MW327.34 g/mol
LogP0.74
Rot. Bonds6

About 1-(2-methoxyethyl)-5-[(quinazolin-4-ylamino)methyl]pyrimidine-2,4-dione

1-(2-methoxyethyl)-5-[(quinazolin-4-ylamino)methyl]pyrimidine-2,4-dione (PubChem CID 154768726) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5-[(quinazolin-4-ylamino)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5-[(quinazolin-4-ylamino)methyl]pyrimidine-2,4-dione
PubChem CID154768726
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Name1-(2-methoxyethyl)-5-[(quinazolin-4-ylamino)methyl]pyrimidine-2,4-dione
SMILESCOCCn1cc(CNc2ncnc3ccccc23)c(=O)[nH]c1=O
InChIInChI=1S/C16H17N5O3/c1-24-7-6-21-9-11(15(22)20-16(21)23)8-17-14-12-4-2-3-5-13(12)18-10-19-14/h2-5,9-10H,6-8H2,1H3,(H,17,18,19)(H,20,22,23)
InChIKeyQTGDVSCDSIIFQR-UHFFFAOYSA-N
XLogP0.74
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(quinazolin-4-ylamino)methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 167977348
N-[(2-methoxy-4-methylphenyl)methyl]quinazolin-4-amine
CID 91644459
3-ethyl-8-[[2-(2-methoxyethylamino)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one
CID 23293023
2-[(quinazolin-4-ylamino)methyl]benzoic acid
CID 66776604
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]quinazolin-4-amine
CID 86768011
N-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 21002356
N,N-bis(2-methoxyethyl)-4-(quinazolin-4-ylamino)butanamide
CID 110436988
N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 4286982
N-[(2-fluorophenyl)methyl]-9-(2-methoxyethyl)purin-6-amine
CID 155799084
N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine
CID 12928811
N-[(2,5-difluorophenyl)methyl]quinazolin-4-amine
CID 63373228
5-bromo-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 63778343

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-5-[(quinazolin-4-ylamino)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-(2-methoxyethyl)-5-[(quinazolin-4-ylamino)methyl]pyrimidine-2,4-dione (CID 154768726) is 1-(2-methoxyethyl)-5-[(quinazolin-4-ylamino)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-methoxyethyl)-5-[(quinazolin-4-ylamino)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-(2-methoxyethyl)-5-[(quinazolin-4-ylamino)methyl]pyrimidine-2,4-dione is COCCn1cc(CNc2ncnc3ccccc23)c(=O)[nH]c1=O.
What is the InChIKey of 1-(2-methoxyethyl)-5-[(quinazolin-4-ylamino)methyl]pyrimidine-2,4-dione?
The InChIKey is QTGDVSCDSIIFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c1-24-7-6-21-9-11(15(22)20-16(21)23)8-17-14-12-4-2-3-5-13(12)18-10-19-14/h2-5,9-10H,6-8H2,1H3,(H,17,18,19)(H,20,22,23).
What are the key properties of 1-(2-methoxyethyl)-5-[(quinazolin-4-ylamino)methyl]pyrimidine-2,4-dione?
1-(2-methoxyethyl)-5-[(quinazolin-4-ylamino)methyl]pyrimidine-2,4-dione has a molecular weight of 327.34 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-5-[(quinazolin-4-ylamino)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 154768726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).