6-chloro-5-(2,2-diethoxyethyl)pyrimidin-4-amine

C10H16ClN3O2 — CID 134693311

IUPAC6-chloro-5-(2,2-diethoxyethyl)pyrimidin-4-amine
SMILESCCOC(Cc1c(N)ncnc1Cl)OCC
InChIInChI=1S/C10H16ClN3O2/c1-3-15-8(16-4-2)5-7-9(11)13-6-14-10(7)12/h6,8H,3-5H2,1-2H3,(H2,12,13,14)
InChIKeyGXUXBUCQQRQWFB-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.65
Rot. Bonds6

About 6-chloro-5-(2,2-diethoxyethyl)pyrimidin-4-amine

6-chloro-5-(2,2-diethoxyethyl)pyrimidin-4-amine (PubChem CID 134693311) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is 6-chloro-5-(2,2-diethoxyethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-(2,2-diethoxyethyl)pyrimidin-4-amine
PubChem CID134693311
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Name6-chloro-5-(2,2-diethoxyethyl)pyrimidin-4-amine
SMILESCCOC(Cc1c(N)ncnc1Cl)OCC
InChIInChI=1S/C10H16ClN3O2/c1-3-15-8(16-4-2)5-7-9(11)13-6-14-10(7)12/h6,8H,3-5H2,1-2H3,(H2,12,13,14)
InChIKeyGXUXBUCQQRQWFB-UHFFFAOYSA-N
XLogP1.65
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(2,2-diethoxyethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-(2,2-diethoxyethyl)pyrimidin-4-amine (CID 134693311) is 6-chloro-5-(2,2-diethoxyethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-(2,2-diethoxyethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-(2,2-diethoxyethyl)pyrimidin-4-amine is CCOC(Cc1c(N)ncnc1Cl)OCC.
What is the InChIKey of 6-chloro-5-(2,2-diethoxyethyl)pyrimidin-4-amine?
The InChIKey is GXUXBUCQQRQWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2/c1-3-15-8(16-4-2)5-7-9(11)13-6-14-10(7)12/h6,8H,3-5H2,1-2H3,(H2,12,13,14).
What are the key properties of 6-chloro-5-(2,2-diethoxyethyl)pyrimidin-4-amine?
6-chloro-5-(2,2-diethoxyethyl)pyrimidin-4-amine has a molecular weight of 245.71 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(2,2-diethoxyethyl)pyrimidin-4-amine is sourced from PubChem (CID 134693311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).