5-amino-4-[bis(2-methoxyethyl)amino]-1H-pyrimidin-6-one

C10H18N4O3 — CID 135568296

IUPAC5-amino-4-[bis(2-methoxyethyl)amino]-1H-pyrimidin-6-one
SMILESCOCCN(CCOC)c1nc[nH]c(=O)c1N
InChIInChI=1S/C10H18N4O3/c1-16-5-3-14(4-6-17-2)9-8(11)10(15)13-7-12-9/h7H,3-6,11H2,1-2H3,(H,12,13,15)
InChIKeyPNEMZQIWUZUQEO-UHFFFAOYSA-N
MW242.28 g/mol
LogP-0.55
Rot. Bonds7

About 5-amino-4-[bis(2-methoxyethyl)amino]-1H-pyrimidin-6-one

5-amino-4-[bis(2-methoxyethyl)amino]-1H-pyrimidin-6-one (PubChem CID 135568296) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 5-amino-4-[bis(2-methoxyethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[bis(2-methoxyethyl)amino]-1H-pyrimidin-6-one
PubChem CID135568296
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name5-amino-4-[bis(2-methoxyethyl)amino]-1H-pyrimidin-6-one
SMILESCOCCN(CCOC)c1nc[nH]c(=O)c1N
InChIInChI=1S/C10H18N4O3/c1-16-5-3-14(4-6-17-2)9-8(11)10(15)13-7-12-9/h7H,3-6,11H2,1-2H3,(H,12,13,15)
InChIKeyPNEMZQIWUZUQEO-UHFFFAOYSA-N
XLogP-0.55
TPSA93.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[bis(2-methoxyethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[bis(2-methoxyethyl)amino]-1H-pyrimidin-6-one (CID 135568296) is 5-amino-4-[bis(2-methoxyethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[bis(2-methoxyethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[bis(2-methoxyethyl)amino]-1H-pyrimidin-6-one is COCCN(CCOC)c1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[bis(2-methoxyethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is PNEMZQIWUZUQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-16-5-3-14(4-6-17-2)9-8(11)10(15)13-7-12-9/h7H,3-6,11H2,1-2H3,(H,12,13,15).
What are the key properties of 5-amino-4-[bis(2-methoxyethyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[bis(2-methoxyethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 242.28 g/mol, XLogP of -0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[bis(2-methoxyethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 135568296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).