6-amino-5-[(2-hydroxycyclohexyl)amino]-1-methylpyrimidine-2,4-dione

C11H18N4O3 — CID 55063707

IUPAC6-amino-5-[(2-hydroxycyclohexyl)amino]-1-methylpyrimidine-2,4-dione
SMILESCn1c(N)c(NC2CCCCC2O)c(=O)[nH]c1=O
InChIInChI=1S/C11H18N4O3/c1-15-9(12)8(10(17)14-11(15)18)13-6-4-2-3-5-7(6)16/h6-7,13,16H,2-5,12H2,1H3,(H,14,17,18)
InChIKeyWMLRFBVOTLTYRQ-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.63
Rot. Bonds2

About 6-amino-5-[(2-hydroxycyclohexyl)amino]-1-methylpyrimidine-2,4-dione

6-amino-5-[(2-hydroxycyclohexyl)amino]-1-methylpyrimidine-2,4-dione (PubChem CID 55063707) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-amino-5-[(2-hydroxycyclohexyl)amino]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[(2-hydroxycyclohexyl)amino]-1-methylpyrimidine-2,4-dione
PubChem CID55063707
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name6-amino-5-[(2-hydroxycyclohexyl)amino]-1-methylpyrimidine-2,4-dione
SMILESCn1c(N)c(NC2CCCCC2O)c(=O)[nH]c1=O
InChIInChI=1S/C11H18N4O3/c1-15-9(12)8(10(17)14-11(15)18)13-6-4-2-3-5-7(6)16/h6-7,13,16H,2-5,12H2,1H3,(H,14,17,18)
InChIKeyWMLRFBVOTLTYRQ-UHFFFAOYSA-N
XLogP-0.63
TPSA113.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(2-hydroxycyclohexyl)amino]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[(2-hydroxycyclohexyl)amino]-1-methylpyrimidine-2,4-dione (CID 55063707) is 6-amino-5-[(2-hydroxycyclohexyl)amino]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[(2-hydroxycyclohexyl)amino]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[(2-hydroxycyclohexyl)amino]-1-methylpyrimidine-2,4-dione is Cn1c(N)c(NC2CCCCC2O)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[(2-hydroxycyclohexyl)amino]-1-methylpyrimidine-2,4-dione?
The InChIKey is WMLRFBVOTLTYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-15-9(12)8(10(17)14-11(15)18)13-6-4-2-3-5-7(6)16/h6-7,13,16H,2-5,12H2,1H3,(H,14,17,18).
What are the key properties of 6-amino-5-[(2-hydroxycyclohexyl)amino]-1-methylpyrimidine-2,4-dione?
6-amino-5-[(2-hydroxycyclohexyl)amino]-1-methylpyrimidine-2,4-dione has a molecular weight of 254.29 g/mol, XLogP of -0.63, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(2-hydroxycyclohexyl)amino]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 55063707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).