5-[(2,4-dimethoxypyrimidin-5-yl)methyl]pyrimidine-2,4-diamine

C11H14N6O2 — CID 621636

IUPAC5-[(2,4-dimethoxypyrimidin-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCOc1ncc(Cc2cnc(N)nc2N)c(OC)n1
InChIInChI=1S/C11H14N6O2/c1-18-9-7(5-15-11(17-9)19-2)3-6-4-14-10(13)16-8(6)12/h4-5H,3H2,1-2H3,(H4,12,13,14,16)
InChIKeyKGQZKWDQHDKFMI-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.04
Rot. Bonds4

About 5-[(2,4-dimethoxypyrimidin-5-yl)methyl]pyrimidine-2,4-diamine

5-[(2,4-dimethoxypyrimidin-5-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 621636) has the molecular formula C11H14N6O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 5-[(2,4-dimethoxypyrimidin-5-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(2,4-dimethoxypyrimidin-5-yl)methyl]pyrimidine-2,4-diamine
PubChem CID621636
Molecular FormulaC11H14N6O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Name5-[(2,4-dimethoxypyrimidin-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCOc1ncc(Cc2cnc(N)nc2N)c(OC)n1
InChIInChI=1S/C11H14N6O2/c1-18-9-7(5-15-11(17-9)19-2)3-6-4-14-10(13)16-8(6)12/h4-5H,3H2,1-2H3,(H4,12,13,14,16)
InChIKeyKGQZKWDQHDKFMI-UHFFFAOYSA-N
XLogP0.04
TPSA122.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethoxypyrimidin-5-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(2,4-dimethoxypyrimidin-5-yl)methyl]pyrimidine-2,4-diamine (CID 621636) is 5-[(2,4-dimethoxypyrimidin-5-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(2,4-dimethoxypyrimidin-5-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(2,4-dimethoxypyrimidin-5-yl)methyl]pyrimidine-2,4-diamine is COc1ncc(Cc2cnc(N)nc2N)c(OC)n1.
What is the InChIKey of 5-[(2,4-dimethoxypyrimidin-5-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is KGQZKWDQHDKFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2/c1-18-9-7(5-15-11(17-9)19-2)3-6-4-14-10(13)16-8(6)12/h4-5H,3H2,1-2H3,(H4,12,13,14,16).
What are the key properties of 5-[(2,4-dimethoxypyrimidin-5-yl)methyl]pyrimidine-2,4-diamine?
5-[(2,4-dimethoxypyrimidin-5-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 262.27 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethoxypyrimidin-5-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 621636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).