2-methyl-5-(morpholin-4-ylmethyl)pyrimidin-4-amine dichloride

C10H16Cl2N4O-2 — CID 46863683

IUPAC2-methyl-5-(morpholin-4-ylmethyl)pyrimidin-4-amine dichloride
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/p-2
InChIKeyHHKJLSPBLQJJRD-UHFFFAOYSA-L
MW279.17 g/mol
LogP-5.79
Rot. Bonds2

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

2-methyl-5-(morpholin-4-ylmethyl)pyrimidin-4-amine dichloride (PubChem CID 46863683) has the molecular formula C10H16Cl2N4O-2 and a molecular weight of 279.17 g/mol. Its IUPAC name is 2-methyl-5-(morpholin-4-ylmethyl)pyrimidin-4-amine dichloride.

Molecular Properties

Compound Name2-methyl-5-(morpholin-4-ylmethyl)pyrimidin-4-amine dichloride
PubChem CID46863683
Molecular FormulaC10H16Cl2N4O-2
Molecular Weight279.17 g/mol
Exact Mass278.07
IUPAC Name2-methyl-5-(morpholin-4-ylmethyl)pyrimidin-4-amine dichloride
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/p-2
InChIKeyHHKJLSPBLQJJRD-UHFFFAOYSA-L
XLogP-5.79
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 5-5.79
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 dichloride?
The IUPAC name of 2-methyl-5-(morpholin-4-ylmethyl)pyrimidin-4-amine dichloride (CID 46863683) is 2-methyl-5-(morpholin-4-ylmethyl)pyrimidin-4-amine dichloride.
What is the SMILES notation for 2-methyl-5-(morpholin-4-ylmethyl)pyrimidin-4-amine dichloride?
The canonical SMILES for 2-methyl-5-(morpholin-4-ylmethyl)pyrimidin-4-amine dichloride is Cc1ncc(CN2CCOCC2)c(N)n1.[Cl-].[Cl-].
What is the InChIKey of 2-methyl-5-(morpholin-4-ylmethyl)pyrimidin-4-amine dichloride?
The InChIKey is HHKJLSPBLQJJRD-UHFFFAOYSA-L. 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/p-2.
What are the key properties of 2-methyl-5-(morpholin-4-ylmethyl)pyrimidin-4-amine dichloride?
2-methyl-5-(morpholin-4-ylmethyl)pyrimidin-4-amine dichloride has a molecular weight of 279.17 g/mol, XLogP of -5.79, 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 dichloride is sourced from PubChem (CID 46863683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).