6-N-methyl-4-N-[(4-methylmorpholin-2-yl)methyl]pyrimidine-4,6-diamine

C11H19N5O — CID 80850810

IUPAC6-N-methyl-4-N-[(4-methylmorpholin-2-yl)methyl]pyrimidine-4,6-diamine
SMILESCNc1cc(NCC2CN(C)CCO2)ncn1
InChIInChI=1S/C11H19N5O/c1-12-10-5-11(15-8-14-10)13-6-9-7-16(2)3-4-17-9/h5,8-9H,3-4,6-7H2,1-2H3,(H2,12,13,14,15)
InChIKeySYDVKHIZPQGAAD-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.26
Rot. Bonds4

About 6-N-methyl-4-N-[(4-methylmorpholin-2-yl)methyl]pyrimidine-4,6-diamine

6-N-methyl-4-N-[(4-methylmorpholin-2-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 80850810) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 6-N-methyl-4-N-[(4-methylmorpholin-2-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-[(4-methylmorpholin-2-yl)methyl]pyrimidine-4,6-diamine
PubChem CID80850810
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name6-N-methyl-4-N-[(4-methylmorpholin-2-yl)methyl]pyrimidine-4,6-diamine
SMILESCNc1cc(NCC2CN(C)CCO2)ncn1
InChIInChI=1S/C11H19N5O/c1-12-10-5-11(15-8-14-10)13-6-9-7-16(2)3-4-17-9/h5,8-9H,3-4,6-7H2,1-2H3,(H2,12,13,14,15)
InChIKeySYDVKHIZPQGAAD-UHFFFAOYSA-N
XLogP0.26
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-[(4-methylmorpholin-2-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-[(4-methylmorpholin-2-yl)methyl]pyrimidine-4,6-diamine (CID 80850810) is 6-N-methyl-4-N-[(4-methylmorpholin-2-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-[(4-methylmorpholin-2-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-[(4-methylmorpholin-2-yl)methyl]pyrimidine-4,6-diamine is CNc1cc(NCC2CN(C)CCO2)ncn1.
What is the InChIKey of 6-N-methyl-4-N-[(4-methylmorpholin-2-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is SYDVKHIZPQGAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-12-10-5-11(15-8-14-10)13-6-9-7-16(2)3-4-17-9/h5,8-9H,3-4,6-7H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 6-N-methyl-4-N-[(4-methylmorpholin-2-yl)methyl]pyrimidine-4,6-diamine?
6-N-methyl-4-N-[(4-methylmorpholin-2-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 237.31 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-[(4-methylmorpholin-2-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80850810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).