2-methyl-5-(morpholin-4-ylmethyl)pyrimidin-4-amine;dihydrochloride

C10H18Cl2N4O — CID 126456562

IUPAC2-methyl-5-(morpholin-4-ylmethyl)pyrimidin-4-amine;dihydrochloride
SMILESCc1ncc(CN2CCOCC2)c(N)n1.Cl.Cl
InChIInChI=1S/C10H16N4O.2ClH/c1-8-12-6-9(10(11)13-8)7-14-2-4-15-5-3-14;;/h6H,2-5,7H2,1H3,(H2,11,12,13);2*1H
InChIKeyHHKJLSPBLQJJRD-UHFFFAOYSA-N
MW281.19 g/mol
LogP1.04
Rot. Bonds2

About 2-methyl-5-(morpholin-4-ylmethyl)pyrimidin-4-amine;dihydrochloride

2-methyl-5-(morpholin-4-ylmethyl)pyrimidin-4-amine;dihydrochloride (PubChem CID 126456562) has the molecular formula C10H18Cl2N4O and a molecular weight of 281.19 g/mol. Its IUPAC name is 2-methyl-5-(morpholin-4-ylmethyl)pyrimidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name2-methyl-5-(morpholin-4-ylmethyl)pyrimidin-4-amine;dihydrochloride
PubChem CID126456562
Molecular FormulaC10H18Cl2N4O
Molecular Weight281.19 g/mol
Exact Mass280.09
IUPAC Name2-methyl-5-(morpholin-4-ylmethyl)pyrimidin-4-amine;dihydrochloride
SMILESCc1ncc(CN2CCOCC2)c(N)n1.Cl.Cl
InChIInChI=1S/C10H16N4O.2ClH/c1-8-12-6-9(10(11)13-8)7-14-2-4-15-5-3-14;;/h6H,2-5,7H2,1H3,(H2,11,12,13);2*1H
InChIKeyHHKJLSPBLQJJRD-UHFFFAOYSA-N
XLogP1.04
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(morpholin-4-ylmethyl)pyrimidin-4-amine;dihydrochloride?
The IUPAC name of 2-methyl-5-(morpholin-4-ylmethyl)pyrimidin-4-amine;dihydrochloride (CID 126456562) is 2-methyl-5-(morpholin-4-ylmethyl)pyrimidin-4-amine;dihydrochloride.
What is the SMILES notation for 2-methyl-5-(morpholin-4-ylmethyl)pyrimidin-4-amine;dihydrochloride?
The canonical SMILES for 2-methyl-5-(morpholin-4-ylmethyl)pyrimidin-4-amine;dihydrochloride is Cc1ncc(CN2CCOCC2)c(N)n1.Cl.Cl.
What is the InChIKey of 2-methyl-5-(morpholin-4-ylmethyl)pyrimidin-4-amine;dihydrochloride?
The InChIKey is HHKJLSPBLQJJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O.2ClH/c1-8-12-6-9(10(11)13-8)7-14-2-4-15-5-3-14;;/h6H,2-5,7H2,1H3,(H2,11,12,13);2*1H.
What are the key properties of 2-methyl-5-(morpholin-4-ylmethyl)pyrimidin-4-amine;dihydrochloride?
2-methyl-5-(morpholin-4-ylmethyl)pyrimidin-4-amine;dihydrochloride has a molecular weight of 281.19 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(morpholin-4-ylmethyl)pyrimidin-4-amine;dihydrochloride is sourced from PubChem (CID 126456562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).