4-N-(1,4-dioxan-2-ylmethyl)-2-N,2-N,4-N,5,6-pentamethylpyrimidine-2,4-diamine

C14H24N4O2 — CID 50961348

IUPAC4-N-(1,4-dioxan-2-ylmethyl)-2-N,2-N,4-N,5,6-pentamethylpyrimidine-2,4-diamine
SMILESCc1nc(N(C)C)nc(N(C)CC2COCCO2)c1C
InChIInChI=1S/C14H24N4O2/c1-10-11(2)15-14(17(3)4)16-13(10)18(5)8-12-9-19-6-7-20-12/h12H,6-9H2,1-5H3
InChIKeyLWBCBHDVVICRCV-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.01
Rot. Bonds4

About 4-N-(1,4-dioxan-2-ylmethyl)-2-N,2-N,4-N,5,6-pentamethylpyrimidine-2,4-diamine

4-N-(1,4-dioxan-2-ylmethyl)-2-N,2-N,4-N,5,6-pentamethylpyrimidine-2,4-diamine (PubChem CID 50961348) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-N-(1,4-dioxan-2-ylmethyl)-2-N,2-N,4-N,5,6-pentamethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1,4-dioxan-2-ylmethyl)-2-N,2-N,4-N,5,6-pentamethylpyrimidine-2,4-diamine
PubChem CID50961348
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name4-N-(1,4-dioxan-2-ylmethyl)-2-N,2-N,4-N,5,6-pentamethylpyrimidine-2,4-diamine
SMILESCc1nc(N(C)C)nc(N(C)CC2COCCO2)c1C
InChIInChI=1S/C14H24N4O2/c1-10-11(2)15-14(17(3)4)16-13(10)18(5)8-12-9-19-6-7-20-12/h12H,6-9H2,1-5H3
InChIKeyLWBCBHDVVICRCV-UHFFFAOYSA-N
XLogP1.01
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1,4-dioxan-2-ylmethyl)-2-N,2-N,4-N,5,6-pentamethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1,4-dioxan-2-ylmethyl)-2-N,2-N,4-N,5,6-pentamethylpyrimidine-2,4-diamine (CID 50961348) is 4-N-(1,4-dioxan-2-ylmethyl)-2-N,2-N,4-N,5,6-pentamethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1,4-dioxan-2-ylmethyl)-2-N,2-N,4-N,5,6-pentamethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1,4-dioxan-2-ylmethyl)-2-N,2-N,4-N,5,6-pentamethylpyrimidine-2,4-diamine is Cc1nc(N(C)C)nc(N(C)CC2COCCO2)c1C.
What is the InChIKey of 4-N-(1,4-dioxan-2-ylmethyl)-2-N,2-N,4-N,5,6-pentamethylpyrimidine-2,4-diamine?
The InChIKey is LWBCBHDVVICRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-10-11(2)15-14(17(3)4)16-13(10)18(5)8-12-9-19-6-7-20-12/h12H,6-9H2,1-5H3.
What are the key properties of 4-N-(1,4-dioxan-2-ylmethyl)-2-N,2-N,4-N,5,6-pentamethylpyrimidine-2,4-diamine?
4-N-(1,4-dioxan-2-ylmethyl)-2-N,2-N,4-N,5,6-pentamethylpyrimidine-2,4-diamine has a molecular weight of 280.37 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,4-dioxan-2-ylmethyl)-2-N,2-N,4-N,5,6-pentamethylpyrimidine-2,4-diamine is sourced from PubChem (CID 50961348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).