2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-methylacetamide;dihydrochloride

C18H31Cl2N5O2 — CID 25120840

IUPAC2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-methylacetamide;dihydrochloride
SMILESCc1nc(OCC(=O)N(C)C2CCN(CC3CC3)CC2)nc(C)c1N.Cl.Cl
InChIInChI=1S/C18H29N5O2.2ClH/c1-12-17(19)13(2)21-18(20-12)25-11-16(24)22(3)15-6-8-23(9-7-15)10-14-4-5-14;;/h14-15H,4-11,19H2,1-3H3;2*1H
InChIKeyIADJRMYUFRGUQQ-UHFFFAOYSA-N
MW420.39 g/mol
LogP2.23
Rot. Bonds6

About 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-methylacetamide;dihydrochloride

2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-methylacetamide;dihydrochloride (PubChem CID 25120840) has the molecular formula C18H31Cl2N5O2 and a molecular weight of 420.39 g/mol. Its IUPAC name is 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-methylacetamide;dihydrochloride.

Molecular Properties

Compound Name2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-methylacetamide;dihydrochloride
PubChem CID25120840
Molecular FormulaC18H31Cl2N5O2
Molecular Weight420.39 g/mol
Exact Mass419.19
IUPAC Name2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-methylacetamide;dihydrochloride
SMILESCc1nc(OCC(=O)N(C)C2CCN(CC3CC3)CC2)nc(C)c1N.Cl.Cl
InChIInChI=1S/C18H29N5O2.2ClH/c1-12-17(19)13(2)21-18(20-12)25-11-16(24)22(3)15-6-8-23(9-7-15)10-14-4-5-14;;/h14-15H,4-11,19H2,1-3H3;2*1H
InChIKeyIADJRMYUFRGUQQ-UHFFFAOYSA-N
XLogP2.23
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.39
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-methylacetamide;dihydrochloride?
The IUPAC name of 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-methylacetamide;dihydrochloride (CID 25120840) is 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-methylacetamide;dihydrochloride.
What is the SMILES notation for 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-methylacetamide;dihydrochloride?
The canonical SMILES for 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-methylacetamide;dihydrochloride is Cc1nc(OCC(=O)N(C)C2CCN(CC3CC3)CC2)nc(C)c1N.Cl.Cl.
What is the InChIKey of 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-methylacetamide;dihydrochloride?
The InChIKey is IADJRMYUFRGUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2.2ClH/c1-12-17(19)13(2)21-18(20-12)25-11-16(24)22(3)15-6-8-23(9-7-15)10-14-4-5-14;;/h14-15H,4-11,19H2,1-3H3;2*1H.
What are the key properties of 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-methylacetamide;dihydrochloride?
2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-methylacetamide;dihydrochloride has a molecular weight of 420.39 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-methylacetamide;dihydrochloride is sourced from PubChem (CID 25120840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).