6-amino-1-butyl-5-[(2-methylcyclohexyl)amino]pyrimidine-2,4-dione

C15H26N4O2 — CID 60649267

IUPAC6-amino-1-butyl-5-[(2-methylcyclohexyl)amino]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(NC2CCCCC2C)c(=O)[nH]c1=O
InChIInChI=1S/C15H26N4O2/c1-3-4-9-19-13(16)12(14(20)18-15(19)21)17-11-8-6-5-7-10(11)2/h10-11,17H,3-9,16H2,1-2H3,(H,18,20,21)
InChIKeyPCFCEZLKOCQQKI-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.91
Rot. Bonds5

About 6-amino-1-butyl-5-[(2-methylcyclohexyl)amino]pyrimidine-2,4-dione

6-amino-1-butyl-5-[(2-methylcyclohexyl)amino]pyrimidine-2,4-dione (PubChem CID 60649267) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 6-amino-1-butyl-5-[(2-methylcyclohexyl)amino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-butyl-5-[(2-methylcyclohexyl)amino]pyrimidine-2,4-dione
PubChem CID60649267
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name6-amino-1-butyl-5-[(2-methylcyclohexyl)amino]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(NC2CCCCC2C)c(=O)[nH]c1=O
InChIInChI=1S/C15H26N4O2/c1-3-4-9-19-13(16)12(14(20)18-15(19)21)17-11-8-6-5-7-10(11)2/h10-11,17H,3-9,16H2,1-2H3,(H,18,20,21)
InChIKeyPCFCEZLKOCQQKI-UHFFFAOYSA-N
XLogP1.91
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-5-[(2,3-dimethylcyclohexyl)amino]-1-propylpyrimidine-2,4-dione
CID 60662372
6-amino-1-butyl-5-(thian-4-ylamino)pyrimidine-2,4-dione
CID 115599961
1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[(1S,2S)-2-methylcyclohexyl]-1-propylthiourea
CID 9093924
6-amino-5-(2-butoxyethylamino)-1-butylpyrimidine-2,4-dione
CID 61169718
6-amino-1-butyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione
CID 60918354
6-amino-1-butyl-5-(but-3-yn-2-ylamino)pyrimidine-2,4-dione
CID 114382909
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]propanamide
CID 60702032
6-amino-1-butyl-5-(3-methoxypropylamino)pyrimidine-2,4-dione
CID 60649021
6-amino-1-butyl-5-[(2-hydroxy-2-methylbutyl)amino]pyrimidine-2,4-dione
CID 62947582
6-amino-5-hydrazinyl-1-propylpyrimidine-2,4-dione
CID 60920992
5-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]pentanamide
CID 106238995
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]-N-ethylacetamide
CID 60661495

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-butyl-5-[(2-methylcyclohexyl)amino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-butyl-5-[(2-methylcyclohexyl)amino]pyrimidine-2,4-dione (CID 60649267) is 6-amino-1-butyl-5-[(2-methylcyclohexyl)amino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-butyl-5-[(2-methylcyclohexyl)amino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-butyl-5-[(2-methylcyclohexyl)amino]pyrimidine-2,4-dione is CCCCn1c(N)c(NC2CCCCC2C)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-butyl-5-[(2-methylcyclohexyl)amino]pyrimidine-2,4-dione?
The InChIKey is PCFCEZLKOCQQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-3-4-9-19-13(16)12(14(20)18-15(19)21)17-11-8-6-5-7-10(11)2/h10-11,17H,3-9,16H2,1-2H3,(H,18,20,21).
What are the key properties of 6-amino-1-butyl-5-[(2-methylcyclohexyl)amino]pyrimidine-2,4-dione?
6-amino-1-butyl-5-[(2-methylcyclohexyl)amino]pyrimidine-2,4-dione has a molecular weight of 294.40 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-butyl-5-[(2-methylcyclohexyl)amino]pyrimidine-2,4-dione is sourced from PubChem (CID 60649267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).