6-amino-1-butyl-5-[(1-methoxy-2-methylpropan-2-yl)amino]-3-methylpyrimidine-2,4-dione

C14H26N4O3 — CID 115624744

IUPAC6-amino-1-butyl-5-[(1-methoxy-2-methylpropan-2-yl)amino]-3-methylpyrimidine-2,4-dione
SMILESCCCCn1c(N)c(NC(C)(C)COC)c(=O)n(C)c1=O
InChIInChI=1S/C14H26N4O3/c1-6-7-8-18-11(15)10(12(19)17(4)13(18)20)16-14(2,3)9-21-5/h16H,6-9,15H2,1-5H3
InChIKeySGDSXKHGHPAMET-UHFFFAOYSA-N
MW298.39 g/mol
LogP0.77
Rot. Bonds7

About 6-amino-1-butyl-5-[(1-methoxy-2-methylpropan-2-yl)amino]-3-methylpyrimidine-2,4-dione

6-amino-1-butyl-5-[(1-methoxy-2-methylpropan-2-yl)amino]-3-methylpyrimidine-2,4-dione (PubChem CID 115624744) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is 6-amino-1-butyl-5-[(1-methoxy-2-methylpropan-2-yl)amino]-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-butyl-5-[(1-methoxy-2-methylpropan-2-yl)amino]-3-methylpyrimidine-2,4-dione
PubChem CID115624744
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Name6-amino-1-butyl-5-[(1-methoxy-2-methylpropan-2-yl)amino]-3-methylpyrimidine-2,4-dione
SMILESCCCCn1c(N)c(NC(C)(C)COC)c(=O)n(C)c1=O
InChIInChI=1S/C14H26N4O3/c1-6-7-8-18-11(15)10(12(19)17(4)13(18)20)16-14(2,3)9-21-5/h16H,6-9,15H2,1-5H3
InChIKeySGDSXKHGHPAMET-UHFFFAOYSA-N
XLogP0.77
TPSA91.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-amino-1-butyl-5-[(1-methoxy-2-methylpropan-2-yl)amino]-3-methylpyrimidine-2,4-dione with MolForge

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Related Compounds

6-amino-1-butyl-5-(2,2-dimethylbutylamino)-3-methylpyrimidine-2,4-dione
CID 103462651
6-amino-1-butyl-5-(3-ethoxypropylamino)-3-methylpyrimidine-2,4-dione
CID 60676616
6-amino-1-butyl-5-(3-cyclopropylpropylamino)-3-methylpyrimidine-2,4-dione
CID 115637540
6-amino-1-butyl-5-[(3-hydroxy-2-methylpropyl)amino]-3-methylpyrimidine-2,4-dione
CID 61362996
6-amino-1-butyl-5-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-methylpyrimidine-2,4-dione
CID 79480764
6-amino-1-butyl-3-methyl-5-(1,3-thiazol-5-ylmethylamino)pyrimidine-2,4-dione
CID 104577376
6-amino-5-(2-methoxypropylamino)-3-methyl-1-propylpyrimidine-2,4-dione
CID 102699140
6-amino-3-methyl-1-propyl-5-(prop-2-ynylamino)pyrimidine-2,4-dione
CID 60676346
6-amino-5-[(1-methoxy-3-methylbutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
CID 65047999
6-amino-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
CID 106144538
6-amino-3-methyl-5-(3-methylpentan-2-ylamino)-1-propylpyrimidine-2,4-dione
CID 61463422
6-amino-3-methyl-5-(4-methylpentan-2-ylamino)-1-propylpyrimidine-2,4-dione
CID 60919883

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-butyl-5-[(1-methoxy-2-methylpropan-2-yl)amino]-3-methylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-butyl-5-[(1-methoxy-2-methylpropan-2-yl)amino]-3-methylpyrimidine-2,4-dione (CID 115624744) is 6-amino-1-butyl-5-[(1-methoxy-2-methylpropan-2-yl)amino]-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-butyl-5-[(1-methoxy-2-methylpropan-2-yl)amino]-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-butyl-5-[(1-methoxy-2-methylpropan-2-yl)amino]-3-methylpyrimidine-2,4-dione is CCCCn1c(N)c(NC(C)(C)COC)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-1-butyl-5-[(1-methoxy-2-methylpropan-2-yl)amino]-3-methylpyrimidine-2,4-dione?
The InChIKey is SGDSXKHGHPAMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-6-7-8-18-11(15)10(12(19)17(4)13(18)20)16-14(2,3)9-21-5/h16H,6-9,15H2,1-5H3.
What are the key properties of 6-amino-1-butyl-5-[(1-methoxy-2-methylpropan-2-yl)amino]-3-methylpyrimidine-2,4-dione?
6-amino-1-butyl-5-[(1-methoxy-2-methylpropan-2-yl)amino]-3-methylpyrimidine-2,4-dione has a molecular weight of 298.39 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-butyl-5-[(1-methoxy-2-methylpropan-2-yl)amino]-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 115624744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).